3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine

C13H19NO2S — CID 64722834

IUPAC3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H19NO2S/c1-2-14-11-8-9-13(10-11)17(15,16)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyARVBJUMSFIJGBP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.99
Rot. Bonds4

About 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine

3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine (PubChem CID 64722834) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
PubChem CID64722834
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H19NO2S/c1-2-14-11-8-9-13(10-11)17(15,16)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
InChIKeyARVBJUMSFIJGBP-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
CID 64722832
N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine
CID 64723047
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine
CID 64716512
3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64724868
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64716929
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
(3-fluorocyclohexyl)sulfonylbenzene
CID 66796259

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine (CID 64722834) is 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine is CCNC1CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine?
The InChIKey is ARVBJUMSFIJGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-14-11-8-9-13(10-11)17(15,16)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine?
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64722834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).