3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride

C17H27ClN2OS — CID 119952204

IUPAC3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCCSC1CCCCC1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-2-21-16-11-7-6-10-15(16)19-17(20)12-14(18)13-8-4-3-5-9-13;/h3-5,8-9,14-16H,2,6-7,10-12,18H2,1H3,(H,19,20);1H
InChIKeyHTXGEGMVUBTAAZ-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119952204) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
PubChem CID119952204
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCCSC1CCCCC1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-2-21-16-11-7-6-10-15(16)19-17(20)12-14(18)13-8-4-3-5-9-13;/h3-5,8-9,14-16H,2,6-7,10-12,18H2,1H3,(H,19,20);1H
InChIKeyHTXGEGMVUBTAAZ-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119949454
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
3-amino-3-phenyl-N-(2-phenyloxolan-3-yl)propanamide
CID 119952210
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
3-amino-N-(4-methylpiperidin-3-yl)-3-phenylpropanamide
CID 122081114

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride (CID 119952204) is 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride is CCSC1CCCCC1NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is HTXGEGMVUBTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-2-21-16-11-7-6-10-15(16)19-17(20)12-14(18)13-8-4-3-5-9-13;/h3-5,8-9,14-16H,2,6-7,10-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).