N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide

C11H22N2O3S — CID 113135854

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide
SMILESCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-7-13(17(2,15)16)10-6-11(14)12-8-4-5-9-12/h3-10H2,1-2H3
InChIKeyJHEYTWLRCAPHKR-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.67
Rot. Bonds6

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide (PubChem CID 113135854) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide
PubChem CID113135854
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide
SMILESCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-7-13(17(2,15)16)10-6-11(14)12-8-4-5-9-12/h3-10H2,1-2H3
InChIKeyJHEYTWLRCAPHKR-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide (CID 113135854) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide is CCCN(CCC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide?
The InChIKey is JHEYTWLRCAPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-7-13(17(2,15)16)10-6-11(14)12-8-4-5-9-12/h3-10H2,1-2H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 113135854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).