N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide

C14H20N2O2S — CID 123155925

IUPACN-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)NC2(C)CCNCC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-14(7-9-15-10-8-14)16-13(17)11-3-5-12(6-4-11)19(2)18/h3-6,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyPVXULQFMGBOSSM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.30
Rot. Bonds3

About N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide

N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide (PubChem CID 123155925) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide
PubChem CID123155925
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)NC2(C)CCNCC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-14(7-9-15-10-8-14)16-13(17)11-3-5-12(6-4-11)19(2)18/h3-6,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyPVXULQFMGBOSSM-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
Piperidine Derivative 3m
CID 14096766
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-pentylcarbamothioate
CID 404013
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-hexylcarbamothioate
CID 404015
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-octylcarbamothioate
CID 404017
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-isopropylcarbamothioate
CID 404019
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-tert-butylcarbamothioate
CID 404021
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-cyclohexylcarbamothioate
CID 404022
N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide (CID 123155925) is N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide is CS(=O)c1ccc(C(=O)NC2(C)CCNCC2)cc1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide?
The InChIKey is PVXULQFMGBOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(7-9-15-10-8-14)16-13(17)11-3-5-12(6-4-11)19(2)18/h3-6,15H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide?
N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 123155925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).