2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine

C15H22ClNO2S — CID 64676411

IUPAC2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2S/c1-3-17-14-8-7-11(2)9-15(14)20(18,19)13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyDUQUMBBBDOWEEN-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine

2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 64676411) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID64676411
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2S/c1-3-17-14-8-7-11(2)9-15(14)20(18,19)13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyDUQUMBBBDOWEEN-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64644849
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine
CID 64699285
2-benzylsulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64645166

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine (CID 64676411) is 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is DUQUMBBBDOWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-3-17-14-8-7-11(2)9-15(14)20(18,19)13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine?
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 315.87 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64676411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).