1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride

C7H12ClNO2S — CID 117266539

IUPAC1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride
SMILESC=C(C1CCCN1C)S(=O)(=O)Cl
InChIInChI=1S/C7H12ClNO2S/c1-6(12(8,10)11)7-4-3-5-9(7)2/h7H,1,3-5H2,2H3
InChIKeyZTQVOONDVCZFEC-UHFFFAOYSA-N
MW209.70 g/mol
LogP1.16
Rot. Bonds2

About 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride

1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride (PubChem CID 117266539) has the molecular formula C7H12ClNO2S and a molecular weight of 209.70 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride
PubChem CID117266539
Molecular FormulaC7H12ClNO2S
Molecular Weight209.70 g/mol
Exact Mass209.03
IUPAC Name1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride
SMILESC=C(C1CCCN1C)S(=O)(=O)Cl
InChIInChI=1S/C7H12ClNO2S/c1-6(12(8,10)11)7-4-3-5-9(7)2/h7H,1,3-5H2,2H3
InChIKeyZTQVOONDVCZFEC-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride
CID 117266540
(2R)-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 89224311
1-(1-methylpyrrolidin-2-yl)ethenamine
CID 143166918
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-[(2S)-1-methylpyrrolidin-2-yl]butan-1-one
CID 89049382
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
potassium (2S)-1-methylpyrrolidine-2-carboxylate
CID 169244754
2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 115012177

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride (CID 117266539) is 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride is C=C(C1CCCN1C)S(=O)(=O)Cl.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride?
The InChIKey is ZTQVOONDVCZFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2S/c1-6(12(8,10)11)7-4-3-5-9(7)2/h7H,1,3-5H2,2H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride?
1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride has a molecular weight of 209.70 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117266539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).