[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene

C15H25N3O2S — CID 79118112

IUPAC[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
SMILESCNC1CCC(NS(=O)(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-14-8-10-15(11-9-14)17-21(19,20)18(2)12-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
InChIKeyJLZRPEQULYJOEA-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.48
Rot. Bonds6

About [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene

[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene (PubChem CID 79118112) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene.

Molecular Properties

Compound Name[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
PubChem CID79118112
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
SMILESCNC1CCC(NS(=O)(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-14-8-10-15(11-9-14)17-21(19,20)18(2)12-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
InChIKeyJLZRPEQULYJOEA-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine
CID 175640501
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzenecarbothioamide
CID 114808337
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998
benzyl(cyclohexylsulfamoyl)carbamic acid
CID 66859599
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
CID 114810129
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
[2-methoxyethoxysulfamoyl(methyl)amino]methylbenzene
CID 82715155

Frequently Asked Questions

What is the IUPAC name of [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene?
The IUPAC name of [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene (CID 79118112) is [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene.
What is the SMILES notation for [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene?
The canonical SMILES for [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene is CNC1CCC(NS(=O)(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene?
The InChIKey is JLZRPEQULYJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-14-8-10-15(11-9-14)17-21(19,20)18(2)12-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3.
What are the key properties of [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene?
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene has a molecular weight of 311.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene is sourced from PubChem (CID 79118112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).