[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene

C14H23N3O2S — CID 61037886

IUPAC[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C14H23N3O2S/c1-17(11-12-7-3-2-4-8-12)20(18,19)16-14-10-6-5-9-13(14)15/h2-4,7-8,13-14,16H,5-6,9-11,15H2,1H3
InChIKeyLCJOQBZVTCDUHU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.22
Rot. Bonds5

About [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene

[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene (PubChem CID 61037886) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
PubChem CID61037886
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C14H23N3O2S/c1-17(11-12-7-3-2-4-8-12)20(18,19)16-14-10-6-5-9-13(14)15/h2-4,7-8,13-14,16H,5-6,9-11,15H2,1H3
InChIKeyLCJOQBZVTCDUHU-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887
(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
CID 72928174
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine
CID 175640501
N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 47052198
(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 94192956
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352

Frequently Asked Questions

What is the IUPAC name of [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene?
The IUPAC name of [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene (CID 61037886) is [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene is CN(Cc1ccccc1)S(=O)(=O)NC1CCCCC1N.
What is the InChIKey of [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene?
The InChIKey is LCJOQBZVTCDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(11-12-7-3-2-4-8-12)20(18,19)16-14-10-6-5-9-13(14)15/h2-4,7-8,13-14,16H,5-6,9-11,15H2,1H3.
What are the key properties of [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene?
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene has a molecular weight of 297.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 61037886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).