1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine

C15H22ClNO2S — CID 84598722

IUPAC1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
SMILESCS(=O)(=O)CCCNC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C15H22ClNO2S/c1-20(18,19)11-5-10-17-15(8-2-3-9-15)13-6-4-7-14(16)12-13/h4,6-7,12,17H,2-3,5,8-11H2,1H3
InChIKeyLQHZXUQQFIUXRK-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.13
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine

1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine (PubChem CID 84598722) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
PubChem CID84598722
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
SMILESCS(=O)(=O)CCCNC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C15H22ClNO2S/c1-20(18,19)11-5-10-17-15(8-2-3-9-15)13-6-4-7-14(16)12-13/h4,6-7,12,17H,2-3,5,8-11H2,1H3
InChIKeyLQHZXUQQFIUXRK-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine (CID 84598722) is 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine is CS(=O)(=O)CCCNC1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
The InChIKey is LQHZXUQQFIUXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-20(18,19)11-5-10-17-15(8-2-3-9-15)13-6-4-7-14(16)12-13/h4,6-7,12,17H,2-3,5,8-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine has a molecular weight of 315.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 84598722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).