2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride

C15H23ClN2OS — CID 120574172

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccc(C)c(C(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10-6-7-12(19-3)9-13(10)15(18)17-14-5-4-8-16-11(14)2;/h6-7,9,11,14,16H,4-5,8H2,1-3H3,(H,17,18);1H
InChIKeyKVSJYQMXDNMFPJ-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride

2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 120574172) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
PubChem CID120574172
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccc(C)c(C(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10-6-7-12(19-3)9-13(10)15(18)17-14-5-4-8-16-11(14)2;/h6-7,9,11,14,16H,4-5,8H2,1-3H3,(H,17,18);1H
InChIKeyKVSJYQMXDNMFPJ-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426358
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576695
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120574312
3-methyl-N-(2-methylpiperidin-3-yl)furan-2-carboxamide;hydrochloride
CID 120577222
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573821
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride (CID 120574172) is 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride is CSc1ccc(C)c(C(=O)NC2CCCNC2C)c1.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is KVSJYQMXDNMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-10-6-7-12(19-3)9-13(10)15(18)17-14-5-4-8-16-11(14)2;/h6-7,9,11,14,16H,4-5,8H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride?
2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 120574172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).