4-chloro-1-(3-methylsulfonylpropyl)piperidine

C9H18ClNO2S — CID 63389112

IUPAC4-chloro-1-(3-methylsulfonylpropyl)piperidine
SMILESCS(=O)(=O)CCCN1CCC(Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-14(12,13)8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3
InChIKeyDZCOPUZSVILDJP-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.12
Rot. Bonds4

About 4-chloro-1-(3-methylsulfonylpropyl)piperidine

4-chloro-1-(3-methylsulfonylpropyl)piperidine (PubChem CID 63389112) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 4-chloro-1-(3-methylsulfonylpropyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(3-methylsulfonylpropyl)piperidine
PubChem CID63389112
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name4-chloro-1-(3-methylsulfonylpropyl)piperidine
SMILESCS(=O)(=O)CCCN1CCC(Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-14(12,13)8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3
InChIKeyDZCOPUZSVILDJP-UHFFFAOYSA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methylsulfonylpropyl)piperidine?
The IUPAC name of 4-chloro-1-(3-methylsulfonylpropyl)piperidine (CID 63389112) is 4-chloro-1-(3-methylsulfonylpropyl)piperidine.
What is the SMILES notation for 4-chloro-1-(3-methylsulfonylpropyl)piperidine?
The canonical SMILES for 4-chloro-1-(3-methylsulfonylpropyl)piperidine is CS(=O)(=O)CCCN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(3-methylsulfonylpropyl)piperidine?
The InChIKey is DZCOPUZSVILDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-14(12,13)8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-1-(3-methylsulfonylpropyl)piperidine?
4-chloro-1-(3-methylsulfonylpropyl)piperidine has a molecular weight of 239.77 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-methylsulfonylpropyl)piperidine is sourced from PubChem (CID 63389112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).