N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide

C10H17ClN4O2S — CID 62320919

IUPACN-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(N)CC2)c1Cl
InChIInChI=1S/C10H17ClN4O2S/c1-15-6-13-10(9(15)11)18(16,17)14-8-4-2-7(12)3-5-8/h6-8,14H,2-5,12H2,1H3
InChIKeySOIMTVFFAPFWED-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.62
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 62320919) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID62320919
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(N)CC2)c1Cl
InChIInChI=1S/C10H17ClN4O2S/c1-15-6-13-10(9(15)11)18(16,17)14-8-4-2-7(12)3-5-8/h6-8,14H,2-5,12H2,1H3
InChIKeySOIMTVFFAPFWED-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide
CID 46595951
5-chloro-1-methyl-N-(2-methylcyclopentyl)imidazole-4-sulfonamide
CID 63281688
5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide
CID 43415288
5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide
CID 103864185
5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide
CID 124729783
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
CID 51891623
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063676
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233532
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 62320919) is N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCC(N)CC2)c1Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is SOIMTVFFAPFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-15-6-13-10(9(15)11)18(16,17)14-8-4-2-7(12)3-5-8/h6-8,14H,2-5,12H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62320919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).