N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride

C16H24Cl2N2OS — CID 119609657

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C16H23ClN2OS.ClH/c1-11(21-14-8-6-13(17)7-9-14)16(20)19-15-5-3-2-4-12(15)10-18;/h6-9,11-12,15H,2-5,10,18H2,1H3,(H,19,20);1H
InChIKeyWSLWAKYZLHWNOU-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119609657) has the molecular formula C16H24Cl2N2OS and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
PubChem CID119609657
Molecular FormulaC16H24Cl2N2OS
Molecular Weight363.35 g/mol
Exact Mass362.10
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C16H23ClN2OS.ClH/c1-11(21-14-8-6-13(17)7-9-14)16(20)19-15-5-3-2-4-12(15)10-18;/h6-9,11-12,15H,2-5,10,18H2,1H3,(H,19,20);1H
InChIKeyWSLWAKYZLHWNOU-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98209551
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
CID 119609976
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119569128
(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7553892
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride (CID 119609657) is N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride is CC(Sc1ccc(Cl)cc1)C(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is WSLWAKYZLHWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS.ClH/c1-11(21-14-8-6-13(17)7-9-14)16(20)19-15-5-3-2-4-12(15)10-18;/h6-9,11-12,15H,2-5,10,18H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 363.35 g/mol, XLogP of 3.88, 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]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119609657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).