1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide

C11H19N3O3S — CID 112705161

IUPAC1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C11H19N3O3S/c1-2-10(9-12)18(16,17)13-6-5-11(15)14-7-3-4-8-14/h10,13H,2-8H2,1H3
InChIKeyIPYRNBFQIBFMFU-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.22
Rot. Bonds6

About 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide

1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide (PubChem CID 112705161) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
PubChem CID112705161
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C11H19N3O3S/c1-2-10(9-12)18(16,17)13-6-5-11(15)14-7-3-4-8-14/h10,13H,2-8H2,1H3
InChIKeyIPYRNBFQIBFMFU-UHFFFAOYSA-N
XLogP0.22
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide 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

N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
1-[3-(dimethylsulfamoylamino)propanoyl]piperidine
CID 47305171
3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide
CID 113411633
1-cyano-N-(3-methylsulfanylbutyl)propane-1-sulfonamide
CID 115766863
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide
CID 112705175
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
methyl 3-(1-cyanopropylsulfonylamino)-2-hydroxypropanoate
CID 103946969
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide (CID 112705161) is 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The InChIKey is IPYRNBFQIBFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-10(9-12)18(16,17)13-6-5-11(15)14-7-3-4-8-14/h10,13H,2-8H2,1H3.
What are the key properties of 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 112705161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).