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

C11H22N2OS — CID 114424521

IUPAC4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
SMILESCSC(C)CNC(=O)C1CC(C)CCN1
InChIInChI=1S/C11H22N2OS/c1-8-4-5-12-10(6-8)11(14)13-7-9(2)15-3/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMRNIGJXEYADRCJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.24
Rot. Bonds4

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

4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide (PubChem CID 114424521) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
PubChem CID114424521
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
SMILESCSC(C)CNC(=O)C1CC(C)CCN1
InChIInChI=1S/C11H22N2OS/c1-8-4-5-12-10(6-8)11(14)13-7-9(2)15-3/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMRNIGJXEYADRCJ-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.24
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-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
CID 114424544
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
N-(2-hydroxypentyl)-4-methylpiperidine-2-carboxamide
CID 114424561
(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
CID 99596683
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide (CID 114424521) is 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide is CSC(C)CNC(=O)C1CC(C)CCN1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide?
The InChIKey is MRNIGJXEYADRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8-4-5-12-10(6-8)11(14)13-7-9(2)15-3/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide?
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.24, 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-methylsulfanylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 114424521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).