N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride

C11H23ClN2OS — CID 119611809

IUPACN-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
SMILESCSCCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-15-7-6-11(14)13-10-5-3-2-4-9(10)8-12;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyAJRQTKFJIZETMJ-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride (PubChem CID 119611809) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
PubChem CID119611809
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
SMILESCSCCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-15-7-6-11(14)13-10-5-3-2-4-9(10)8-12;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyAJRQTKFJIZETMJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride 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-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride (CID 119611809) is N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride is CSCCC(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride?
The InChIKey is AJRQTKFJIZETMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-15-7-6-11(14)13-10-5-3-2-4-9(10)8-12;/h9-10H,2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119611809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).