N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide

C11H19ClN4O2S — CID 126795291

IUPACN-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCC2CN)nc1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-16-7-10(14-11(16)12)19(17,18)15-9-5-3-2-4-8(9)6-13/h7-9,15H,2-6,13H2,1H3
InChIKeyIQMDOPBUICHKAN-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.87
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 126795291) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide
PubChem CID126795291
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCC2CN)nc1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-16-7-10(14-11(16)12)19(17,18)15-9-5-3-2-4-8(9)6-13/h7-9,15H,2-6,13H2,1H3
InChIKeyIQMDOPBUICHKAN-UHFFFAOYSA-N
XLogP0.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
N-[2-(aminomethyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
CID 120875288
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
CID 106367783
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 124702095
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106364611
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 124690418
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168
N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 119986408
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide (CID 126795291) is N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCCC2CN)nc1Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is IQMDOPBUICHKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-16-7-10(14-11(16)12)19(17,18)15-9-5-3-2-4-8(9)6-13/h7-9,15H,2-6,13H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 126795291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).