N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide

C16H25N3O3S — CID 119610619

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2CN)cc1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-11-7-8-12(9-15(11)19-23(2,21)22)16(20)18-14-6-4-3-5-13(14)10-17/h7-9,13-14,19H,3-6,10,17H2,1-2H3,(H,18,20)
InChIKeyOHAKTJHWTRRNAS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 119610619) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID119610619
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2CN)cc1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-11-7-8-12(9-15(11)19-23(2,21)22)16(20)18-14-6-4-3-5-13(14)10-17/h7-9,13-14,19H,3-6,10,17H2,1-2H3,(H,18,20)
InChIKeyOHAKTJHWTRRNAS-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119604828
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119610980

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 119610619) is N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCC2CN)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is OHAKTJHWTRRNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-7-8-12(9-15(11)19-23(2,21)22)16(20)18-14-6-4-3-5-13(14)10-17/h7-9,13-14,19H,3-6,10,17H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 119610619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).