2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride

C14H21ClN2OS — CID 119426358

IUPAC2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCSc1ccc(C)c(C(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-5-6-12(18-2)8-13(10)14(17)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17);1H
InChIKeyDRSAJWYTXFRYLP-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride

2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119426358) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119426358
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCSc1ccc(C)c(C(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-5-6-12(18-2)8-13(10)14(17)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17);1H
InChIKeyDRSAJWYTXFRYLP-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
CID 120574172
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride (CID 119426358) is 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride is CSc1ccc(C)c(C(=O)NC2CCCNC2)c1.Cl.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is DRSAJWYTXFRYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-10-5-6-12(18-2)8-13(10)14(17)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119426358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).