N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide

C13H26N2OS — CID 114628110

IUPACN-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCC(CC)CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H26N2OS/c1-3-11(4-2)9-15-13(16)10-17-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyWUBPZISRDADKBO-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.02
Rot. Bonds7

About N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide

N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114628110) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114628110
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCC(CC)CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H26N2OS/c1-3-11(4-2)9-15-13(16)10-17-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyWUBPZISRDADKBO-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627251
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
CID 106255078
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
CID 114626598
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide (CID 114628110) is N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide is CCC(CC)CNC(=O)CSC1CCNCC1.
What is the InChIKey of N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is WUBPZISRDADKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-11(4-2)9-15-13(16)10-17-12-5-7-14-8-6-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide?
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 258.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114628110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).