N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride

C13H21ClN2OS — CID 119582322

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccccc1SCC(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10-6-4-5-7-12(10)17-9-13(16)15(3)11(2)8-14;/h4-7,11H,8-9,14H2,1-3H3;1H
InChIKeyOYSRCOLJSAMSGN-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.31
Rot. Bonds5

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

N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119582322) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
PubChem CID119582322
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccccc1SCC(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10-6-4-5-7-12(10)17-9-13(16)15(3)11(2)8-14;/h4-7,11H,8-9,14H2,1-3H3;1H
InChIKeyOYSRCOLJSAMSGN-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119581746
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
CID 119582126
N-(1-aminopropan-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119584496
N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495
3-[ethyl-[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 62822098
N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 119995100
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119586311
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 112790122
N-(1-aminopropan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methylacetamide;hydrochloride
CID 119581860

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride (CID 119582322) is N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride is Cc1ccccc1SCC(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is OYSRCOLJSAMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-10-6-4-5-7-12(10)17-9-13(16)15(3)11(2)8-14;/h4-7,11H,8-9,14H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119582322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).