2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide

C11H19N3O2S2 — CID 103908449

IUPAC2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C11H19N3O2S2/c1-8-12-7-11(13-8)18(15,16)14-9-5-3-4-6-10(9)17-2/h7,9-10,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyFZVNVXFRALXYRH-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide

2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide (PubChem CID 103908449) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
PubChem CID103908449
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C11H19N3O2S2/c1-8-12-7-11(13-8)18(15,16)14-9-5-3-4-6-10(9)17-2/h7,9-10,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyFZVNVXFRALXYRH-UHFFFAOYSA-N
XLogP1.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 114179797
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
CID 114122877
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773053
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 102609491
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106833406
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide (CID 103908449) is 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide is CSC1CCCCC1NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide?
The InChIKey is FZVNVXFRALXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8-12-7-11(13-8)18(15,16)14-9-5-3-4-6-10(9)17-2/h7,9-10,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103908449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).