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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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).