3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine

C12H16ClNO2S — CID 114792054

IUPAC3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine
SMILESNC1CCC(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2S/c13-10-3-1-9(2-4-10)8-17(15,16)12-6-5-11(14)7-12/h1-4,11-12H,5-8,14H2
InChIKeySHPKESWKTVIVHO-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.13
Rot. Bonds3

About 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine

3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine (PubChem CID 114792054) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine
PubChem CID114792054
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine
SMILESNC1CCC(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2S/c13-10-3-1-9(2-4-10)8-17(15,16)12-6-5-11(14)7-12/h1-4,11-12H,5-8,14H2
InChIKeySHPKESWKTVIVHO-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine (CID 114792054) is 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine is NC1CCC(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine?
The InChIKey is SHPKESWKTVIVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-10-3-1-9(2-4-10)8-17(15,16)12-6-5-11(14)7-12/h1-4,11-12H,5-8,14H2.
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine?
3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]cyclopentan-1-amine is sourced from PubChem (CID 114792054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).