1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide

C10H18N2O2S — CID 115766969

IUPAC1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C10H18N2O2S/c1-2-10(8-11)15(13,14)12-7-6-9-4-3-5-9/h9-10,12H,2-7H2,1H3
InChIKeyHOARCJCMWMUAPR-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.40
Rot. Bonds6

About 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide

1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide (PubChem CID 115766969) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
PubChem CID115766969
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C10H18N2O2S/c1-2-10(8-11)15(13,14)12-7-6-9-4-3-5-9/h9-10,12H,2-7H2,1H3
InChIKeyHOARCJCMWMUAPR-UHFFFAOYSA-N
XLogP1.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-(2-cyclobutylethyl)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

1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 112705161
1-cyano-N-(3-methylsulfanylbutyl)propane-1-sulfonamide
CID 115766863
N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide
CID 112705179
1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 113338251
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178
5-(1-cyanopropylsulfonylamino)-2-methylpentanoic acid
CID 104682866
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 80682915
1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 114083935
N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
CID 107172726

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide (CID 115766969) is 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCCC1CCC1.
What is the InChIKey of 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide?
The InChIKey is HOARCJCMWMUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-10(8-11)15(13,14)12-7-6-9-4-3-5-9/h9-10,12H,2-7H2,1H3.
What are the key properties of 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide?
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide is sourced from PubChem (CID 115766969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).