2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide

C12H24N2OS — CID 106740652

IUPAC2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
SMILESCSCCC(C)NC(=O)C1CCNC(C)C1
InChIInChI=1S/C12H24N2OS/c1-9(5-7-16-3)14-12(15)11-4-6-13-10(2)8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyGJJKPWKENIBYDA-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds5

About 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide

2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 106740652) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
PubChem CID106740652
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
SMILESCSCCC(C)NC(=O)C1CCNC(C)C1
InChIInChI=1S/C12H24N2OS/c1-9(5-7-16-3)14-12(15)11-4-6-13-10(2)8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyGJJKPWKENIBYDA-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
N-(4-methylsulfanylbutan-2-yl)azocane-2-carboxamide
CID 114240218
(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640514
N-[(1S)-1-cyclohexylethyl]-2-methylpiperidine-4-carboxamide
CID 106740421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide (CID 106740652) is 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide is CSCCC(C)NC(=O)C1CCNC(C)C1.
What is the InChIKey of 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is GJJKPWKENIBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(5-7-16-3)14-12(15)11-4-6-13-10(2)8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide?
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 106740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).