1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine

C13H18ClNO2S — CID 2990591

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-11-6-4-5-9-15(11)18(16,17)10-12-7-2-3-8-13(12)14/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyKZGJNSSPDGETOV-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.04
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine

1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine (PubChem CID 2990591) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine
PubChem CID2990591
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-11-6-4-5-9-15(11)18(16,17)10-12-7-2-3-8-13(12)14/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyKZGJNSSPDGETOV-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine (CID 2990591) is 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine is CC1CCCCN1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine?
The InChIKey is KZGJNSSPDGETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-11-6-4-5-9-15(11)18(16,17)10-12-7-2-3-8-13(12)14/h2-3,7-8,11H,4-6,9-10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine?
1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine has a molecular weight of 287.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-2-methylpiperidine is sourced from PubChem (CID 2990591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).