2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C17H27NO2S — CID 62916348

IUPAC2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H27NO2S/c1-4-18-16-11-10-14(13(2)3)12-17(16)21(19,20)15-8-6-5-7-9-15/h5-9,13-14,16-18H,4,10-12H2,1-3H3
InChIKeyMUPIUBOROYXPKQ-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.26
Rot. Bonds5

About 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62916348) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID62916348
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H27NO2S/c1-4-18-16-11-10-14(13(2)3)12-17(16)21(19,20)15-8-6-5-7-9-15/h5-9,13-14,16-18H,4,10-12H2,1-3H3
InChIKeyMUPIUBOROYXPKQ-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64674704
2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 64645859
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine
CID 64675224
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 62916348) is 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MUPIUBOROYXPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-18-16-11-10-14(13(2)3)12-17(16)21(19,20)15-8-6-5-7-9-15/h5-9,13-14,16-18H,4,10-12H2,1-3H3.
What are the key properties of 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62916348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).