N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide

C16H23ClN2OS — CID 115308437

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2(CN)CCCCC2C)c1
InChIInChI=1S/C16H23ClN2OS/c1-11-5-3-4-8-16(11,10-18)19-15(20)13-9-12(21-2)6-7-14(13)17/h6-7,9,11H,3-5,8,10,18H2,1-2H3,(H,19,20)
InChIKeyVPVDUZWHAAGVCO-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide (PubChem CID 115308437) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
PubChem CID115308437
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2(CN)CCCCC2C)c1
InChIInChI=1S/C16H23ClN2OS/c1-11-5-3-4-8-16(11,10-18)19-15(20)13-9-12(21-2)6-7-14(13)17/h6-7,9,11H,3-5,8,10,18H2,1-2H3,(H,19,20)
InChIKeyVPVDUZWHAAGVCO-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 113412029

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide (CID 115308437) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC2(CN)CCCCC2C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is VPVDUZWHAAGVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-11-5-3-4-8-16(11,10-18)19-15(20)13-9-12(21-2)6-7-14(13)17/h6-7,9,11H,3-5,8,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 326.89 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 115308437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).