1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide

C15H20N2O3S — CID 102847448

IUPAC1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-11-13-4-1-5-14(10-13)12-21(19,20)17(8-3-9-18)15-6-2-7-15/h1,4-5,10,15,18H,2-3,6-9,12H2
InChIKeyFDKNMTYRHVXTTF-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.62
Rot. Bonds7

About 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide

1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide (PubChem CID 102847448) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
PubChem CID102847448
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-11-13-4-1-5-14(10-13)12-21(19,20)17(8-3-9-18)15-6-2-7-15/h1,4-5,10,15,18H,2-3,6-9,12H2
InChIKeyFDKNMTYRHVXTTF-UHFFFAOYSA-N
XLogP1.62
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide 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-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
N-[(3-bromophenyl)methyl]-1-(3-cyanophenyl)-N-cyclopropylmethanesulfonamide
CID 78862454
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
1-(3-aminophenyl)-N-(2-cyanoethyl)-N-cyclopropylmethanesulfonamide
CID 61126630
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 66260603
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
3-[2-[cyclobutyl(2-hydroxyethyl)amino]ethylsulfonyl]benzonitrile
CID 102676606
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
N-cyclobutyl-N-(2-hydroxyethyl)-1-(4-nitrophenyl)methanesulfonamide
CID 102675871

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide (CID 102847448) is 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide?
The InChIKey is FDKNMTYRHVXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-11-13-4-1-5-14(10-13)12-21(19,20)17(8-3-9-18)15-6-2-7-15/h1,4-5,10,15,18H,2-3,6-9,12H2.
What are the key properties of 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide?
1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 102847448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).