N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

C12H24N2O3S — CID 113136642

IUPACN-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-3-4-10-14(18(2,16)17)11-7-12(15)13-8-5-6-9-13/h3-11H2,1-2H3
InChIKeyXIQAVWAECJWKDO-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.06
Rot. Bonds7

About N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 113136642) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID113136642
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-3-4-10-14(18(2,16)17)11-7-12(15)13-8-5-6-9-13/h3-11H2,1-2H3
InChIKeyXIQAVWAECJWKDO-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 113136642) is N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is CCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is XIQAVWAECJWKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-4-10-14(18(2,16)17)11-7-12(15)13-8-5-6-9-13/h3-11H2,1-2H3.
What are the key properties of N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113136642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).