5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride

C10H12ClNO3S2 — CID 168710917

IUPAC5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
SMILESCC(c1cccs1)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H12ClNO3S2/c1-7(9-3-2-4-16-9)12-6-8(5-10(12)13)17(11,14)15/h2-4,7-8H,5-6H2,1H3
InChIKeyORJVRXNOUXYLDL-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.98
Rot. Bonds3

About 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride

5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride (PubChem CID 168710917) has the molecular formula C10H12ClNO3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
PubChem CID168710917
Molecular FormulaC10H12ClNO3S2
Molecular Weight293.80 g/mol
Exact Mass292.99
IUPAC Name5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
SMILESCC(c1cccs1)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H12ClNO3S2/c1-7(9-3-2-4-16-9)12-6-8(5-10(12)13)17(11,14)15/h2-4,7-8H,5-6H2,1H3
InChIKeyORJVRXNOUXYLDL-UHFFFAOYSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-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

Related Compounds

5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710923
1-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710901
4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one
CID 168506589
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710902
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710947
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713150

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride (CID 168710917) is 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride is CC(c1cccs1)N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride?
The InChIKey is ORJVRXNOUXYLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S2/c1-7(9-3-2-4-16-9)12-6-8(5-10(12)13)17(11,14)15/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride?
5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride has a molecular weight of 293.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).