2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine

C16H24ClNO2S — CID 79587194

IUPAC2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-11-18-16-5-3-4-13(16)10-12-21(19,20)15-8-6-14(17)7-9-15/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeyBDJDVLGKRHORFO-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine

2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine (PubChem CID 79587194) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
PubChem CID79587194
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-11-18-16-5-3-4-13(16)10-12-21(19,20)15-8-6-14(17)7-9-15/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeyBDJDVLGKRHORFO-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-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587196
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79581885
2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
CID 107759130
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577668
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
CID 79587610
2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol
CID 106585441
2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
CID 63061787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine (CID 79587194) is 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
The InChIKey is BDJDVLGKRHORFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-11-18-16-5-3-4-13(16)10-12-21(19,20)15-8-6-14(17)7-9-15/h6-9,13,16,18H,2-5,10-12H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine?
2-[2-(4-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-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79587194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).