N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine

C18H25N3O2S — CID 86790028

IUPACN-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CCCCC2NCCn2ccnc2)cc1
InChIInChI=1S/C18H25N3O2S/c1-15-6-8-16(9-7-15)24(22,23)18-5-3-2-4-17(18)20-11-13-21-12-10-19-14-21/h6-10,12,14,17-18,20H,2-5,11,13H2,1H3
InChIKeyKOOADZUSHYLTKD-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.57
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine

N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine (PubChem CID 86790028) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine
PubChem CID86790028
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CCCCC2NCCn2ccnc2)cc1
InChIInChI=1S/C18H25N3O2S/c1-15-6-8-16(9-7-15)24(22,23)18-5-3-2-4-17(18)20-11-13-21-12-10-19-14-21/h6-10,12,14,17-18,20H,2-5,11,13H2,1H3
InChIKeyKOOADZUSHYLTKD-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
CID 99829754
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
CID 99622517
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
4-methylbenzenesulfonic acid;1-octylimidazole
CID 175477505
1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole
CID 10137364
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
N-ethyl-2-(4-nitrophenyl)sulfonylcyclohexan-1-amine
CID 64645323
2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
CID 136520503
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine (CID 86790028) is N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine is Cc1ccc(S(=O)(=O)C2CCCCC2NCCn2ccnc2)cc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine?
The InChIKey is KOOADZUSHYLTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-15-6-8-16(9-7-15)24(22,23)18-5-3-2-4-17(18)20-11-13-21-12-10-19-14-21/h6-10,12,14,17-18,20H,2-5,11,13H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine?
N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine has a molecular weight of 347.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 86790028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).