5GC

5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine

Created:	2015-09-23
Last modified:	2016-09-28

Find Related PDB Entry
1 entries where 5GC is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	5

2D diagram of 5GC

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine
Systematic Name (OpenEye OEToolkits)	5-methylsulfanyl-4-propan-2-ylsulfonyl-1H-pyrazol-3-amine
Formula	C₇ H₁₃ N₃ O₂ S₂
Molecular Weight	235.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(c(SC)nn1)S(=O)(=O)C(C)C)N
SMILES	CACTVS	3.385	CSc1[nH]nc(N)c1[S](=O)(=O)C(C)C
SMILES	OpenEye OEToolkits	1.9.2	CC(C)S(=O)(=O)c1c(n[nH]c1SC)N
Canonical SMILES	CACTVS	3.385	CSc1[nH]nc(N)c1[S](=O)(=O)C(C)C
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)S(=O)(=O)c1c(n[nH]c1SC)N
InChI	InChI	1.03	InChI=1S/C7H13N3O2S2/c1-4(2)14(11,12)5-6(8)9-10-7(5)13-3/h4H,1-3H3,(H3,8,9,10)
InChIKey	InChI	1.03	SEBINQGTUBTFET-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2819916

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.