4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 115308945

IUPAC4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2(CN)CCCCC2C)cc1
InChIInChI=1S/C15H25N3O2S/c1-12-5-3-4-10-15(12,11-16)18-13-6-8-14(9-7-13)21(19,20)17-2/h6-9,12,17-18H,3-5,10-11,16H2,1-2H3
InChIKeyLOODXFGYNZGVMY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.91
Rot. Bonds5

About 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide

4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide (PubChem CID 115308945) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
PubChem CID115308945
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2(CN)CCCCC2C)cc1
InChIInChI=1S/C15H25N3O2S/c1-12-5-3-4-10-15(12,11-16)18-13-6-8-14(9-7-13)21(19,20)17-2/h6-9,12,17-18H,3-5,10-11,16H2,1-2H3
InChIKeyLOODXFGYNZGVMY-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
CID 115309057
1-N-[1-(aminomethyl)-2-methylcyclohexyl]-4-nitrobenzene-1,3-diamine
CID 106749960
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120607479
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide (CID 115308945) is 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2(CN)CCCCC2C)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide?
The InChIKey is LOODXFGYNZGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-5-3-4-10-15(12,11-16)18-13-6-8-14(9-7-13)21(19,20)17-2/h6-9,12,17-18H,3-5,10-11,16H2,1-2H3.
What are the key properties of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide?
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 115308945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).