[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C13H25ClN2O3S — CID 168672770

IUPAC[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCCCN(CCC)CCN1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C13H25ClN2O3S/c1-3-5-15(6-4-2)7-8-16-10-12(9-13(16)17)11-20(14,18)19/h12H,3-11H2,1-2H3
InChIKeyJWONVWINTWKEOY-UHFFFAOYSA-N
MW324.87 g/mol
LogP1.53
Rot. Bonds9

About [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672770) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672770
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC Name[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCCCN(CCC)CCN1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C13H25ClN2O3S/c1-3-5-15(6-4-2)7-8-16-10-12(9-13(16)17)11-20(14,18)19/h12H,3-11H2,1-2H3
InChIKeyJWONVWINTWKEOY-UHFFFAOYSA-N
XLogP1.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl 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

[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672934
[1-[4-(N-methylanilino)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672929
[5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673651
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
4-amino-1-[3-(dipropylamino)propyl]pyrrolidin-2-one
CID 168699218
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673561
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672770) is [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is CCCN(CCC)CCN1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is JWONVWINTWKEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O3S/c1-3-5-15(6-4-2)7-8-16-10-12(9-13(16)17)11-20(14,18)19/h12H,3-11H2,1-2H3.
What are the key properties of [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 324.87 g/mol, XLogP of 1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).