1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one

C10H19NOS — CID 63964320

IUPAC1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one
SMILESCSCC(C)CN1CCC(=O)CC1
InChIInChI=1S/C10H19NOS/c1-9(8-13-2)7-11-5-3-10(12)4-6-11/h9H,3-8H2,1-2H3
InChIKeyXDAUTBPWHUQTKK-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.65
Rot. Bonds4

About 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one

1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one (PubChem CID 63964320) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one
PubChem CID63964320
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one
SMILESCSCC(C)CN1CCC(=O)CC1
InChIInChI=1S/C10H19NOS/c1-9(8-13-2)7-11-5-3-10(12)4-6-11/h9H,3-8H2,1-2H3
InChIKeyXDAUTBPWHUQTKK-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one (CID 63964320) is 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one is CSCC(C)CN1CCC(=O)CC1.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one?
The InChIKey is XDAUTBPWHUQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-9(8-13-2)7-11-5-3-10(12)4-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one?
1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one has a molecular weight of 201.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-one is sourced from PubChem (CID 63964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).