5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide

C11H20N4O2S — CID 107411072

IUPAC5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2c(N)ncn2C)C1
InChIInChI=1S/C11H20N4O2S/c1-8-3-4-9(5-8)6-14-18(16,17)11-10(12)13-7-15(11)2/h7-9,14H,3-6,12H2,1-2H3
InChIKeyVSFVAQUMNSMDHT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.72
Rot. Bonds4

About 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide

5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide (PubChem CID 107411072) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide
PubChem CID107411072
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2c(N)ncn2C)C1
InChIInChI=1S/C11H20N4O2S/c1-8-3-4-9(5-8)6-14-18(16,17)11-10(12)13-7-15(11)2/h7-9,14H,3-6,12H2,1-2H3
InChIKeyVSFVAQUMNSMDHT-UHFFFAOYSA-N
XLogP0.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide
CID 115515239
5-chloro-N-(cyclooctylmethyl)-1-methylimidazole-4-sulfonamide
CID 71889800
5-chloro-N-(cyclohexylmethyl)-1-methylimidazole-4-sulfonamide
CID 35292148
5-chloro-N-(cyclopentylmethyl)-1-methylimidazole-4-sulfonamide
CID 43427535
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
CID 45821896
5-chloro-N-(2-cyclohexylethyl)-1-methylimidazole-4-sulfonamide
CID 46406865
5-chloro-1-methyl-N-(1-methylcyclopentyl)imidazole-4-sulfonamide
CID 47377354
5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 47480373
5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide
CID 55137027
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 55153289

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide (CID 107411072) is 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide is CC1CCC(CNS(=O)(=O)c2c(N)ncn2C)C1.
What is the InChIKey of 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide?
The InChIKey is VSFVAQUMNSMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-3-4-9(5-8)6-14-18(16,17)11-10(12)13-7-15(11)2/h7-9,14H,3-6,12H2,1-2H3.
What are the key properties of 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide?
5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 107411072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).