2-pyrrolidin-1-ylethanesulfonyl chloride

C6H12ClNO2S — CID 55279944

IUPAC2-pyrrolidin-1-ylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCN1CCCC1
InChIInChI=1S/C6H12ClNO2S/c7-11(9,10)6-5-8-3-1-2-4-8/h1-6H2
InChIKeyHTYRRGFPVSIIBO-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.65
Rot. Bonds3

About 2-pyrrolidin-1-ylethanesulfonyl chloride

2-pyrrolidin-1-ylethanesulfonyl chloride (PubChem CID 55279944) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethanesulfonyl chloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethanesulfonyl chloride
PubChem CID55279944
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2-pyrrolidin-1-ylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCN1CCCC1
InChIInChI=1S/C6H12ClNO2S/c7-11(9,10)6-5-8-3-1-2-4-8/h1-6H2
InChIKeyHTYRRGFPVSIIBO-UHFFFAOYSA-N
XLogP0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethanesulfonyl chloride?
The IUPAC name of 2-pyrrolidin-1-ylethanesulfonyl chloride (CID 55279944) is 2-pyrrolidin-1-ylethanesulfonyl chloride.
What is the SMILES notation for 2-pyrrolidin-1-ylethanesulfonyl chloride?
The canonical SMILES for 2-pyrrolidin-1-ylethanesulfonyl chloride is O=S(=O)(Cl)CCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethanesulfonyl chloride?
The InChIKey is HTYRRGFPVSIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c7-11(9,10)6-5-8-3-1-2-4-8/h1-6H2.
What are the key properties of 2-pyrrolidin-1-ylethanesulfonyl chloride?
2-pyrrolidin-1-ylethanesulfonyl chloride has a molecular weight of 197.69 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethanesulfonyl chloride is sourced from PubChem (CID 55279944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).