N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide

C16H24N2OS — CID 94115261

IUPACN-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCN1CCCC[C@H]1C
InChIInChI=1S/C16H24N2OS/c1-13-7-5-6-11-18(13)12-10-17-16(19)14-8-3-4-9-15(14)20-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyBLEHRYUIIPXAJS-CYBMUJFWSA-N
MW292.45 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide (PubChem CID 94115261) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
PubChem CID94115261
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCN1CCCC[C@H]1C
InChIInChI=1S/C16H24N2OS/c1-13-7-5-6-11-18(13)12-10-17-16(19)14-8-3-4-9-15(14)20-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyBLEHRYUIIPXAJS-CYBMUJFWSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55715342
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
CID 55717527
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 143551121
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide (CID 94115261) is N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCN1CCCC[C@H]1C.
What is the InChIKey of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide?
The InChIKey is BLEHRYUIIPXAJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-7-5-6-11-18(13)12-10-17-16(19)14-8-3-4-9-15(14)20-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide?
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide has a molecular weight of 292.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 94115261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).