1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide

C13H16N2O3S — CID 115902984

IUPAC1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NC2(CO)CCC2)c1
InChIInChI=1S/C13H16N2O3S/c14-8-11-3-1-4-12(7-11)9-19(17,18)15-13(10-16)5-2-6-13/h1,3-4,7,15-16H,2,5-6,9-10H2
InChIKeyODVYJIBDGXQNMD-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.89
Rot. Bonds5

About 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide

1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide (PubChem CID 115902984) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide
PubChem CID115902984
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NC2(CO)CCC2)c1
InChIInChI=1S/C13H16N2O3S/c14-8-11-3-1-4-12(7-11)9-19(17,18)15-13(10-16)5-2-6-13/h1,3-4,7,15-16H,2,5-6,9-10H2
InChIKeyODVYJIBDGXQNMD-UHFFFAOYSA-N
XLogP0.89
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 62519734
ethyl 1-[(3-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylate
CID 86839237
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866
5-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid
CID 43475040
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
1-(3-cyanophenyl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 120666430
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide (CID 115902984) is 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NC2(CO)CCC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide?
The InChIKey is ODVYJIBDGXQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-8-11-3-1-4-12(7-11)9-19(17,18)15-13(10-16)5-2-6-13/h1,3-4,7,15-16H,2,5-6,9-10H2.
What are the key properties of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide is sourced from PubChem (CID 115902984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).