N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide

C14H28N2O2S — CID 106255078

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCCC(CC)(CO)CNC(=O)CSC1CCNCC1
InChIInChI=1S/C14H28N2O2S/c1-3-14(4-2,11-17)10-16-13(18)9-19-12-5-7-15-8-6-12/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyCPZOINNVOFXWHI-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.39
Rot. Bonds8

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 106255078) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID106255078
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCCC(CC)(CO)CNC(=O)CSC1CCNCC1
InChIInChI=1S/C14H28N2O2S/c1-3-14(4-2,11-17)10-16-13(18)9-19-12-5-7-15-8-6-12/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyCPZOINNVOFXWHI-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106148182
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-3-ylacetamide
CID 106255561
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
CID 114626598
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide (CID 106255078) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide is CCC(CC)(CO)CNC(=O)CSC1CCNCC1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is CPZOINNVOFXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-14(4-2,11-17)10-16-13(18)9-19-12-5-7-15-8-6-12/h12,15,17H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 288.46 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 106255078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).