6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C16H25NO2S — CID 79847566

IUPAC6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(S(=O)(=O)c2ccccc2)CCCC1(C)C
InChIInChI=1S/C16H25NO2S/c1-4-17-15-14(11-8-12-16(15,2)3)20(18,19)13-9-6-5-7-10-13/h5-7,9-10,14-15,17H,4,8,11-12H2,1-3H3
InChIKeyHTEKGIFHAOFYRZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.02
Rot. Bonds4

About 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79847566) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79847566
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(S(=O)(=O)c2ccccc2)CCCC1(C)C
InChIInChI=1S/C16H25NO2S/c1-4-17-15-14(11-8-12-16(15,2)3)20(18,19)13-9-6-5-7-10-13/h5-7,9-10,14-15,17H,4,8,11-12H2,1-3H3
InChIKeyHTEKGIFHAOFYRZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79842628
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
N-ethyl-2-(4-nitrophenyl)sulfonylcyclohexan-1-amine
CID 64645323
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79847566) is 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(S(=O)(=O)c2ccccc2)CCCC1(C)C.
What is the InChIKey of 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HTEKGIFHAOFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-17-15-14(11-8-12-16(15,2)3)20(18,19)13-9-6-5-7-10-13/h5-7,9-10,14-15,17H,4,8,11-12H2,1-3H3.
What are the key properties of 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).