4-(2-chloroethylsulfonyl)piperidine

C7H14ClNO2S — CID 22162066

IUPAC4-(2-chloroethylsulfonyl)piperidine
SMILESO=S(=O)(CCCl)C1CCNCC1
InChIInChI=1S/C7H14ClNO2S/c8-3-6-12(10,11)7-1-4-9-5-2-7/h7,9H,1-6H2
InChIKeyDZLSAOBFQCXNGQ-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.39
Rot. Bonds3

About 4-(2-chloroethylsulfonyl)piperidine

4-(2-chloroethylsulfonyl)piperidine (PubChem CID 22162066) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 4-(2-chloroethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethylsulfonyl)piperidine
PubChem CID22162066
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name4-(2-chloroethylsulfonyl)piperidine
SMILESO=S(=O)(CCCl)C1CCNCC1
InChIInChI=1S/C7H14ClNO2S/c8-3-6-12(10,11)7-1-4-9-5-2-7/h7,9H,1-6H2
InChIKeyDZLSAOBFQCXNGQ-UHFFFAOYSA-N
XLogP0.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.39
H-Bond Donors ≤ 51
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-(2-chloroethylsulfonyl)piperidine?
The IUPAC name of 4-(2-chloroethylsulfonyl)piperidine (CID 22162066) is 4-(2-chloroethylsulfonyl)piperidine.
What is the SMILES notation for 4-(2-chloroethylsulfonyl)piperidine?
The canonical SMILES for 4-(2-chloroethylsulfonyl)piperidine is O=S(=O)(CCCl)C1CCNCC1.
What is the InChIKey of 4-(2-chloroethylsulfonyl)piperidine?
The InChIKey is DZLSAOBFQCXNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c8-3-6-12(10,11)7-1-4-9-5-2-7/h7,9H,1-6H2.
What are the key properties of 4-(2-chloroethylsulfonyl)piperidine?
4-(2-chloroethylsulfonyl)piperidine has a molecular weight of 211.71 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylsulfonyl)piperidine is sourced from PubChem (CID 22162066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).