2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine

C16H24ClNO2S — CID 79587196

IUPAC2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO2S/c1-2-11-18-15-8-5-6-13(15)10-12-21(19,20)16-9-4-3-7-14(16)17/h3-4,7,9,13,15,18H,2,5-6,8,10-12H2,1H3
InChIKeyANDPJFFYVPLZFH-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine

2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine (PubChem CID 79587196) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
PubChem CID79587196
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO2S/c1-2-11-18-15-8-5-6-13(15)10-12-21(19,20)16-9-4-3-7-14(16)17/h3-4,7,9,13,15,18H,2,5-6,8,10-12H2,1H3
InChIKeyANDPJFFYVPLZFH-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103290168
2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
CID 107759130
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
CID 106512607
2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
CID 63061787
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577668
3-(2-chlorophenyl)sulfonyl-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 110675372
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine (CID 79587196) is 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
The InChIKey is ANDPJFFYVPLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-11-18-15-8-5-6-13(15)10-12-21(19,20)16-9-4-3-7-14(16)17/h3-4,7,9,13,15,18H,2,5-6,8,10-12H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine has a molecular weight of 329.89 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79587196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).