N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride

C15H23ClN2O2S — CID 120576039

IUPACN-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cccc(CS(C)=O)c1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11-14(7-4-8-16-11)17-15(18)13-6-3-5-12(9-13)10-20(2)19;/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3,(H,17,18);1H
InChIKeyJKAOEWFKWFEPPG-UHFFFAOYSA-N
MW330.88 g/mol
LogP1.86
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride

N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride (PubChem CID 120576039) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
PubChem CID120576039
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cccc(CS(C)=O)c1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11-14(7-4-8-16-11)17-15(18)13-6-3-5-12(9-13)10-20(2)19;/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3,(H,17,18);1H
InChIKeyJKAOEWFKWFEPPG-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
N-[2-(aminomethyl)cyclopentyl]-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 119601240
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120574688
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride (CID 120576039) is N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1cccc(CS(C)=O)c1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride?
The InChIKey is JKAOEWFKWFEPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-11-14(7-4-8-16-11)17-15(18)13-6-3-5-12(9-13)10-20(2)19;/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 120576039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).