N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride

C16H25ClN2O3S — CID 119615872

IUPACN-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
SMILESCOc1ccc(SCCC(=O)NC(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-20-14-6-5-12(9-15(14)21-2)22-8-7-16(19)18-13(10-17)11-3-4-11;/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3,(H,18,19);1H
InChIKeyVJCSDAUDYUFFKT-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.46
Rot. Bonds9

About N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119615872) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
PubChem CID119615872
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
SMILESCOc1ccc(SCCC(=O)NC(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-20-14-6-5-12(9-15(14)21-2)22-8-7-16(19)18-13(10-17)11-3-4-11;/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3,(H,18,19);1H
InChIKeyVJCSDAUDYUFFKT-UHFFFAOYSA-N
XLogP2.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
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1-[4-(aminomethyl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)sulfanylpropan-1-one
CID 119423604
2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
CID 119612751
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
CID 119614737
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119613742
N-(2-amino-1-cyclopropylethyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119617078
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119642284
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride (CID 119615872) is N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride is COc1ccc(SCCC(=O)NC(CN)C2CC2)cc1OC.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is VJCSDAUDYUFFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-20-14-6-5-12(9-15(14)21-2)22-8-7-16(19)18-13(10-17)11-3-4-11;/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119615872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).