3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one

C15H17NOS2 — CID 3237400

IUPAC3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2cccs2)NC1c1cccs1
InChIInChI=1S/C15H17NOS2/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-14,16H,1-2H3
InChIKeyMUTNIEJDQJDXMD-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.04
Rot. Bonds2

About 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one

3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one (PubChem CID 3237400) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one
PubChem CID3237400
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2cccs2)NC1c1cccs1
InChIInChI=1S/C15H17NOS2/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-14,16H,1-2H3
InChIKeyMUTNIEJDQJDXMD-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one?
The IUPAC name of 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one (CID 3237400) is 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one.
What is the SMILES notation for 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one?
The canonical SMILES for 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one is CC1C(=O)C(C)C(c2cccs2)NC1c1cccs1.
What is the InChIKey of 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one?
The InChIKey is MUTNIEJDQJDXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-14,16H,1-2H3.
What are the key properties of 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one?
3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one has a molecular weight of 291.44 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6-dithiophen-2-ylpiperidin-4-one is sourced from PubChem (CID 3237400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).