N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride

C15H23ClN2OS — CID 119442046

IUPACN-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1ccccc1SCC(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12-5-3-4-6-14(12)19-11-15(18)17(2)13-7-9-16-10-8-13;/h3-6,13,16H,7-11H2,1-2H3;1H
InChIKeyGTUWHTSAXISQOX-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride

N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119442046) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119442046
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1ccccc1SCC(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12-5-3-4-6-14(12)19-11-15(18)17(2)13-7-9-16-10-8-13;/h3-6,13,16H,7-11H2,1-2H3;1H
InChIKeyGTUWHTSAXISQOX-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441556
2-(4-bromo-2-methylphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551142
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
CID 119388889
2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79130662
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
2-(2,6-dimethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444398
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
CID 119443283
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 70778374
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119442281

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119442046) is N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride is Cc1ccccc1SCC(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is GTUWHTSAXISQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-12-5-3-4-6-14(12)19-11-15(18)17(2)13-7-9-16-10-8-13;/h3-6,13,16H,7-11H2,1-2H3;1H.
What are the key properties of N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119442046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).