1-(2-tert-butylsulfanylacetyl)piperidin-4-one

C11H19NO2S — CID 43218141

IUPAC1-(2-tert-butylsulfanylacetyl)piperidin-4-one
SMILESCC(C)(C)SCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO2S/c1-11(2,3)15-8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKeyDAQCOMZXELRXGS-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-tert-butylsulfanylacetyl)piperidin-4-one

1-(2-tert-butylsulfanylacetyl)piperidin-4-one (PubChem CID 43218141) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylacetyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylacetyl)piperidin-4-one
PubChem CID43218141
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-(2-tert-butylsulfanylacetyl)piperidin-4-one
SMILESCC(C)(C)SCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO2S/c1-11(2,3)15-8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKeyDAQCOMZXELRXGS-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylacetyl)piperidin-4-one?
The IUPAC name of 1-(2-tert-butylsulfanylacetyl)piperidin-4-one (CID 43218141) is 1-(2-tert-butylsulfanylacetyl)piperidin-4-one.
What is the SMILES notation for 1-(2-tert-butylsulfanylacetyl)piperidin-4-one?
The canonical SMILES for 1-(2-tert-butylsulfanylacetyl)piperidin-4-one is CC(C)(C)SCC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(2-tert-butylsulfanylacetyl)piperidin-4-one?
The InChIKey is DAQCOMZXELRXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-11(2,3)15-8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfanylacetyl)piperidin-4-one?
1-(2-tert-butylsulfanylacetyl)piperidin-4-one has a molecular weight of 229.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylacetyl)piperidin-4-one is sourced from PubChem (CID 43218141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).