5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride

C9H16ClNO3S — CID 168711154

IUPAC5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
SMILESCCC(CC)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H16ClNO3S/c1-3-7(4-2)11-6-8(5-9(11)12)15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyAMHFJYSMKPIREP-UHFFFAOYSA-N
MW253.75 g/mol
LogP1.34
Rot. Bonds4

About 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride

5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride (PubChem CID 168711154) has the molecular formula C9H16ClNO3S and a molecular weight of 253.75 g/mol. Its IUPAC name is 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
PubChem CID168711154
Molecular FormulaC9H16ClNO3S
Molecular Weight253.75 g/mol
Exact Mass253.05
IUPAC Name5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
SMILESCCC(CC)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H16ClNO3S/c1-3-7(4-2)11-6-8(5-9(11)12)15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyAMHFJYSMKPIREP-UHFFFAOYSA-N
XLogP1.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl 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 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride (CID 168711154) is 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride is CCC(CC)N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride?
The InChIKey is AMHFJYSMKPIREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO3S/c1-3-7(4-2)11-6-8(5-9(11)12)15(10,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride?
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride has a molecular weight of 253.75 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).