6,6-dimethyl-5-phenylsulfanylpiperidin-2-one

C13H17NOS — CID 11736485

IUPAC6,6-dimethyl-5-phenylsulfanylpiperidin-2-one
SMILESCC1(C)NC(=O)CCC1Sc1ccccc1
InChIInChI=1S/C13H17NOS/c1-13(2)11(8-9-12(15)14-13)16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyYADQIHLHIVAWHH-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.84
Rot. Bonds2

About 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one

6,6-dimethyl-5-phenylsulfanylpiperidin-2-one (PubChem CID 11736485) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-5-phenylsulfanylpiperidin-2-one
PubChem CID11736485
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name6,6-dimethyl-5-phenylsulfanylpiperidin-2-one
SMILESCC1(C)NC(=O)CCC1Sc1ccccc1
InChIInChI=1S/C13H17NOS/c1-13(2)11(8-9-12(15)14-13)16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyYADQIHLHIVAWHH-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one?
The IUPAC name of 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one (CID 11736485) is 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one.
What is the SMILES notation for 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one?
The canonical SMILES for 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one is CC1(C)NC(=O)CCC1Sc1ccccc1.
What is the InChIKey of 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one?
The InChIKey is YADQIHLHIVAWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-13(2)11(8-9-12(15)14-13)16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one?
6,6-dimethyl-5-phenylsulfanylpiperidin-2-one has a molecular weight of 235.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-phenylsulfanylpiperidin-2-one is sourced from PubChem (CID 11736485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).