3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride

C15H24ClN3O3S — CID 120607408

IUPAC3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-5-2-3-8-15(11,10-16)18-22(20,21)13-7-4-6-12(9-13)14(17)19;/h4,6-7,9,11,18H,2-3,5,8,10,16H2,1H3,(H2,17,19);1H
InChIKeyJYDIZRQHLTYABB-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.39
Rot. Bonds5

About 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride

3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride (PubChem CID 120607408) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
PubChem CID120607408
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
SMILESCC1CCCCC1(CN)NS(=O)(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-5-2-3-8-15(11,10-16)18-22(20,21)13-7-4-6-12(9-13)14(17)19;/h4,6-7,9,11,18H,2-3,5,8,10,16H2,1H3,(H2,17,19);1H
InChIKeyJYDIZRQHLTYABB-UHFFFAOYSA-N
XLogP1.39
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 120607192
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581
methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
CID 120607450
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 120607272

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride?
The IUPAC name of 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride (CID 120607408) is 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride is CC1CCCCC1(CN)NS(=O)(=O)c1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride?
The InChIKey is JYDIZRQHLTYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11-5-2-3-8-15(11,10-16)18-22(20,21)13-7-4-6-12(9-13)14(17)19;/h4,6-7,9,11,18H,2-3,5,8,10,16H2,1H3,(H2,17,19);1H.
What are the key properties of 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride?
3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 120607408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).