4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide

C16H25N3O3S — CID 120607207

IUPAC4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1
InChIInChI=1S/C16H25N3O3S/c1-12-5-3-4-10-16(12,11-17)19-23(21,22)14-8-6-13(7-9-14)15(20)18-2/h6-9,12,19H,3-5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyBTXQBPNDZLFUOW-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.23
Rot. Bonds5

About 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide

4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide (PubChem CID 120607207) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
PubChem CID120607207
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1
InChIInChI=1S/C16H25N3O3S/c1-12-5-3-4-10-16(12,11-17)19-23(21,22)14-8-6-13(7-9-14)15(20)18-2/h6-9,12,19H,3-5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyBTXQBPNDZLFUOW-UHFFFAOYSA-N
XLogP1.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
CID 120607408
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 120607192
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120607479
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
CID 115308945
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide (CID 120607207) is 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide?
The InChIKey is BTXQBPNDZLFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-5-3-4-10-16(12,11-17)19-23(21,22)14-8-6-13(7-9-14)15(20)18-2/h6-9,12,19H,3-5,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide?
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.23, 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]sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 120607207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).