1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H9ClN2O3S2 — CID 168711935

IUPAC1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1csc(N2CC(S(=O)(=O)Cl)CC2=O)c1C#N
InChIInChI=1S/C10H9ClN2O3S2/c1-6-5-17-10(8(6)3-12)13-4-7(2-9(13)14)18(11,15)16/h5,7H,2,4H2,1H3
InChIKeyJPULWVXNWPMGEA-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.60
Rot. Bonds2

About 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711935) has the molecular formula C10H9ClN2O3S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711935
Molecular FormulaC10H9ClN2O3S2
Molecular Weight304.78 g/mol
Exact Mass303.97
IUPAC Name1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1csc(N2CC(S(=O)(=O)Cl)CC2=O)c1C#N
InChIInChI=1S/C10H9ClN2O3S2/c1-6-5-17-10(8(6)3-12)13-4-7(2-9(13)14)18(11,15)16/h5,7H,2,4H2,1H3
InChIKeyJPULWVXNWPMGEA-UHFFFAOYSA-N
XLogP1.60
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate
CID 168717961
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719128
1-(4-cyano-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711463
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
1-(2-cyano-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712748
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
[1-(3-cyano-4,5-dimethylthiophen-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676074
1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712705
1-(2-methyl-5-propan-2-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711106
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711935) is 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride is Cc1csc(N2CC(S(=O)(=O)Cl)CC2=O)c1C#N.
What is the InChIKey of 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is JPULWVXNWPMGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S2/c1-6-5-17-10(8(6)3-12)13-4-7(2-9(13)14)18(11,15)16/h5,7H,2,4H2,1H3.
What are the key properties of 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 304.78 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).