1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene

C12H15N3O2S — CID 113424588

IUPAC1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H15N3O2S/c1-15(18(16,17)14-12-5-6-12)9-11-4-2-3-10(7-11)8-13/h2-4,7,12,14H,5-6,9H2,1H3
InChIKeyXYVHTLUWMYPIMT-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.99
Rot. Bonds5

About 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene

1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene (PubChem CID 113424588) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
PubChem CID113424588
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H15N3O2S/c1-15(18(16,17)14-12-5-6-12)9-11-4-2-3-10(7-11)8-13/h2-4,7,12,14H,5-6,9H2,1H3
InChIKeyXYVHTLUWMYPIMT-UHFFFAOYSA-N
XLogP0.99
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
methyl N-[(3-cyanophenyl)methyl-methylsulfamoyl]carbamate
CID 115874261
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzenecarbothioamide
CID 114808337
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 62967428
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
CID 119967873
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
CID 62967745
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene?
The IUPAC name of 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene (CID 113424588) is 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene.
What is the SMILES notation for 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene?
The canonical SMILES for 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene is CN(Cc1cccc(C#N)c1)S(=O)(=O)NC1CC1.
What is the InChIKey of 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene?
The InChIKey is XYVHTLUWMYPIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15(18(16,17)14-12-5-6-12)9-11-4-2-3-10(7-11)8-13/h2-4,7,12,14H,5-6,9H2,1H3.
What are the key properties of 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene?
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene has a molecular weight of 265.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene is sourced from PubChem (CID 113424588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).