N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine

C15H23NO2S — CID 64675273

IUPACN-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCCCC1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H23NO2S/c1-3-16-14-9-4-5-10-15(14)19(17,18)13-8-6-7-12(2)11-13/h6-8,11,14-16H,3-5,9-10H2,1-2H3
InChIKeyFIPWVVAKDMWQRC-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds4

About N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine

N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine (PubChem CID 64675273) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
PubChem CID64675273
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCCCC1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H23NO2S/c1-3-16-14-9-4-5-10-15(14)19(17,18)13-8-6-7-12(2)11-13/h6-8,11,14-16H,3-5,9-10H2,1-2H3
InChIKeyFIPWVVAKDMWQRC-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
CID 64698481
N-ethyl-2-(4-nitrophenyl)sulfonylcyclohexan-1-amine
CID 64645323
2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
2-(2,5-difluorophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645332
2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64645531
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine (CID 64675273) is N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine is CCNC1CCCCC1S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine?
The InChIKey is FIPWVVAKDMWQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-16-14-9-4-5-10-15(14)19(17,18)13-8-6-7-12(2)11-13/h6-8,11,14-16H,3-5,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine?
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64675273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).