[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene

C12H17N3O2S — CID 54947098

IUPAC[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12,14H,1-3H3
InChIKeyMSSWXZYTLDVCAF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.43
Rot. Bonds5

About [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene

[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene (PubChem CID 54947098) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene.

Molecular Properties

Compound Name[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
PubChem CID54947098
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12,14H,1-3H3
InChIKeyMSSWXZYTLDVCAF-UHFFFAOYSA-N
XLogP1.43
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880364
[(2R,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880366
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
CID 61455733
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114
2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707648
N-[cyano-(4-propan-2-ylphenyl)methyl]methanesulfonamide
CID 82119706
N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
CID 82114950
N-[cyano(phenyl)methyl]thiophene-2-sulfonamide
CID 3833145
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589

Frequently Asked Questions

What is the IUPAC name of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
The IUPAC name of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene (CID 54947098) is [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene.
What is the SMILES notation for [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
The canonical SMILES for [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene is CC(C)N(C)S(=O)(=O)NC(C#N)c1ccccc1.
What is the InChIKey of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
The InChIKey is MSSWXZYTLDVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12,14H,1-3H3.
What are the key properties of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene has a molecular weight of 267.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene is sourced from PubChem (CID 54947098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).