(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride

C6H12ClNO4S2 — CID 122163521

IUPAC(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride
SMILESCS(=O)(=O)N1CCC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO4S2/c1-13(9,10)8-3-2-6(4-8)5-14(7,11)12/h6H,2-5H2,1H3
InChIKeyXLTLUHCBFIGCEO-UHFFFAOYSA-N
MW261.75 g/mol
LogP-0.16
Rot. Bonds3

About (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride

(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride (PubChem CID 122163521) has the molecular formula C6H12ClNO4S2 and a molecular weight of 261.75 g/mol. Its IUPAC name is (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride
PubChem CID122163521
Molecular FormulaC6H12ClNO4S2
Molecular Weight261.75 g/mol
Exact Mass260.99
IUPAC Name(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride
SMILESCS(=O)(=O)N1CCC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO4S2/c1-13(9,10)8-3-2-6(4-8)5-14(7,11)12/h6H,2-5H2,1H3
InChIKeyXLTLUHCBFIGCEO-UHFFFAOYSA-N
XLogP-0.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride?
The IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride (CID 122163521) is (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride?
The canonical SMILES for (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride is CS(=O)(=O)N1CCC(CS(=O)(=O)Cl)C1.
What is the InChIKey of (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride?
The InChIKey is XLTLUHCBFIGCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO4S2/c1-13(9,10)8-3-2-6(4-8)5-14(7,11)12/h6H,2-5H2,1H3.
What are the key properties of (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride?
(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride has a molecular weight of 261.75 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 122163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).