1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride

C7H12ClNO4S — CID 168711430

IUPAC1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C7H12ClNO4S/c1-13-3-2-9-5-6(4-7(9)10)14(8,11)12/h6H,2-5H2,1H3
InChIKeyPOYGZFJNSLSLEC-UHFFFAOYSA-N
MW241.70 g/mol
LogP-0.20
Rot. Bonds4

About 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711430) has the molecular formula C7H12ClNO4S and a molecular weight of 241.70 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711430
Molecular FormulaC7H12ClNO4S
Molecular Weight241.70 g/mol
Exact Mass241.02
IUPAC Name1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C7H12ClNO4S/c1-13-3-2-9-5-6(4-7(9)10)14(8,11)12/h6H,2-5H2,1H3
InChIKeyPOYGZFJNSLSLEC-UHFFFAOYSA-N
XLogP-0.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710999
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711427
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089
1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712043

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711430) is 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride is COCCN1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is POYGZFJNSLSLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO4S/c1-13-3-2-9-5-6(4-7(9)10)14(8,11)12/h6H,2-5H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 241.70 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).