N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

C12H24N2O3S — CID 113137006

IUPACN-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCCC(C)N(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-4-11(2)14(18(3,16)17)10-7-12(15)13-8-5-6-9-13/h11H,4-10H2,1-3H3
InChIKeyBUQIFGNMPZFMRH-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.06
Rot. Bonds6

About N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 113137006) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID113137006
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCCC(C)N(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-4-11(2)14(18(3,16)17)10-7-12(15)13-8-5-6-9-13/h11H,4-10H2,1-3H3
InChIKeyBUQIFGNMPZFMRH-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 113137006) is N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is CCC(C)N(CCC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is BUQIFGNMPZFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-11(2)14(18(3,16)17)10-7-12(15)13-8-5-6-9-13/h11H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113137006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).