2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C14H20Cl2N2OS — CID 119462907

IUPAC2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCSc1ccc(Cl)c(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/c1-19-11-4-5-13(15)12(7-11)14(18)17-9-10-3-2-6-16-8-10;/h4-5,7,10,16H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKeyYHEVZSWUZRPYFY-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462907) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462907
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC Name2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCSc1ccc(Cl)c(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/c1-19-11-4-5-13(15)12(7-11)14(18)17-9-10-3-2-6-16-8-10;/h4-5,7,10,16H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKeyYHEVZSWUZRPYFY-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 106132547
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
CID 94821318
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
5-methylsulfanyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557437
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462907) is 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CSc1ccc(Cl)c(C(=O)NCC2CCCNC2)c1.Cl.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is YHEVZSWUZRPYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS.ClH/c1-19-11-4-5-13(15)12(7-11)14(18)17-9-10-3-2-6-16-8-10;/h4-5,7,10,16H,2-3,6,8-9H2,1H3,(H,17,18);1H.
What are the key properties of 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 335.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).