1-(2-chloroethylsulfonyl)pyrrolidine

C6H12ClNO2S — CID 60722867

IUPAC1-(2-chloroethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCl)N1CCCC1
InChIInChI=1S/C6H12ClNO2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-6H2
InChIKeyRVHQXCROVHCUTD-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.65
Rot. Bonds3

About 1-(2-chloroethylsulfonyl)pyrrolidine

1-(2-chloroethylsulfonyl)pyrrolidine (PubChem CID 60722867) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 1-(2-chloroethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloroethylsulfonyl)pyrrolidine
PubChem CID60722867
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name1-(2-chloroethylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCl)N1CCCC1
InChIInChI=1S/C6H12ClNO2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-6H2
InChIKeyRVHQXCROVHCUTD-UHFFFAOYSA-N
XLogP0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-chloroethylsulfonyl)pyrrolidine?
The IUPAC name of 1-(2-chloroethylsulfonyl)pyrrolidine (CID 60722867) is 1-(2-chloroethylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloroethylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(2-chloroethylsulfonyl)pyrrolidine is O=S(=O)(CCCl)N1CCCC1.
What is the InChIKey of 1-(2-chloroethylsulfonyl)pyrrolidine?
The InChIKey is RVHQXCROVHCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-6H2.
What are the key properties of 1-(2-chloroethylsulfonyl)pyrrolidine?
1-(2-chloroethylsulfonyl)pyrrolidine has a molecular weight of 197.69 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfonyl)pyrrolidine is sourced from PubChem (CID 60722867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).