1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride

C8H14ClNO4S — CID 168711428

IUPAC1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOCCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C8H14ClNO4S/c1-14-4-2-3-10-6-7(5-8(10)11)15(9,12)13/h7H,2-6H2,1H3
InChIKeyFUMDDZINXOUQMX-UHFFFAOYSA-N
MW255.72 g/mol
LogP0.19
Rot. Bonds5

About 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711428) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711428
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Name1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOCCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C8H14ClNO4S/c1-14-4-2-3-10-6-7(5-8(10)11)15(9,12)13/h7H,2-6H2,1H3
InChIKeyFUMDDZINXOUQMX-UHFFFAOYSA-N
XLogP0.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710999
1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711427
1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711332
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711428) is 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride is COCCCN1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is FUMDDZINXOUQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4S/c1-14-4-2-3-10-6-7(5-8(10)11)15(9,12)13/h7H,2-6H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 255.72 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).