N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide

C12H24N2OS — CID 115734464

IUPACN-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
SMILESCCSCCC(C)NC(=O)C1CCNCC1
InChIInChI=1S/C12H24N2OS/c1-3-16-9-6-10(2)14-12(15)11-4-7-13-8-5-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyLAAAZDXVTGEOPJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide

N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 115734464) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
PubChem CID115734464
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
SMILESCCSCCC(C)NC(=O)C1CCNCC1
InChIInChI=1S/C12H24N2OS/c1-3-16-9-6-10(2)14-12(15)11-4-7-13-8-5-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyLAAAZDXVTGEOPJ-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
CID 104869071
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43579241
N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266965

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide (CID 115734464) is N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide is CCSCCC(C)NC(=O)C1CCNCC1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is LAAAZDXVTGEOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-16-9-6-10(2)14-12(15)11-4-7-13-8-5-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 115734464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).