N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride

C14H21ClN2O2S — CID 119582126

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CSCC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-11(8-15)16(2)14(18)10-19-9-13(17)12-6-4-3-5-7-12;/h3-7,11H,8-10,15H2,1-2H3;1H
InChIKeyOOPWYLRHEPJOHV-UHFFFAOYSA-N
MW316.85 g/mol
LogP1.83
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride (PubChem CID 119582126) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
PubChem CID119582126
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CSCC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-11(8-15)16(2)14(18)10-19-9-13(17)12-6-4-3-5-7-12;/h3-7,11H,8-10,15H2,1-2H3;1H
InChIKeyOOPWYLRHEPJOHV-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;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-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide
CID 95324097
N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119582322
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349
N-(1-aminopropan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methylacetamide;hydrochloride
CID 119581860
2-ethylsulfanyl-1-phenylethanone
CID 2776060
N-(3-aminobutyl)-2-phenacylsulfanylacetamide;hydrochloride
CID 119495825
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
N-(1-aminopropan-2-yl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methylacetamide
CID 119582608
N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119583522

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride (CID 119582126) is N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride is CC(CN)N(C)C(=O)CSCC(=O)c1ccccc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride?
The InChIKey is OOPWYLRHEPJOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-11(8-15)16(2)14(18)10-19-9-13(17)12-6-4-3-5-7-12;/h3-7,11H,8-10,15H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119582126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).