N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide

C11H22N2O2S — CID 114424559

IUPACN-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
SMILESCCS(=O)CCNC(=O)C1CC(C)CCN1
InChIInChI=1S/C11H22N2O2S/c1-3-16(15)7-6-13-11(14)10-8-9(2)4-5-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyCONXBNJIGYLSJD-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide

N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114424559) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
PubChem CID114424559
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
SMILESCCS(=O)CCNC(=O)C1CC(C)CCN1
InChIInChI=1S/C11H22N2O2S/c1-3-16(15)7-6-13-11(14)10-8-9(2)4-5-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyCONXBNJIGYLSJD-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
CID 114424544
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
4-ethyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424091
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115739346
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
N-(2-hydroxypentyl)-4-methylpiperidine-2-carboxamide
CID 114424561

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide (CID 114424559) is N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide is CCS(=O)CCNC(=O)C1CC(C)CCN1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is CONXBNJIGYLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-16(15)7-6-13-11(14)10-8-9(2)4-5-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide?
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).