4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide

C11H22N2O2S — CID 114424544

IUPAC4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCC(C)S(C)=O)C1
InChIInChI=1S/C11H22N2O2S/c1-8-4-5-12-10(6-8)11(14)13-7-9(2)16(3)15/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGGUYBQYPBDRGOM-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds4

About 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide

4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide (PubChem CID 114424544) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
PubChem CID114424544
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCC(C)S(C)=O)C1
InChIInChI=1S/C11H22N2O2S/c1-8-4-5-12-10(6-8)11(14)13-7-9(2)16(3)15/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGGUYBQYPBDRGOM-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
N-(2-hydroxypentyl)-4-methylpiperidine-2-carboxamide
CID 114424561
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
CID 114424559
4-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 114424478
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
CID 114423872
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide (CID 114424544) is 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide is CC1CCNC(C(=O)NCC(C)S(C)=O)C1.
What is the InChIKey of 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide?
The InChIKey is GGUYBQYPBDRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8-4-5-12-10(6-8)11(14)13-7-9(2)16(3)15/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide?
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 114424544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).