4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C13H22N2O3S — CID 23826610

IUPAC4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCSCCC(=O)N1CCC(N2C(=O)OCC2C)CC1
InChIInChI=1S/C13H22N2O3S/c1-10-9-18-13(17)15(10)11-3-6-14(7-4-11)12(16)5-8-19-2/h10-11H,3-9H2,1-2H3
InChIKeySNCAWKBGFHHYJS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.57
Rot. Bonds4

About 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23826610) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23826610
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCSCCC(=O)N1CCC(N2C(=O)OCC2C)CC1
InChIInChI=1S/C13H22N2O3S/c1-10-9-18-13(17)15(10)11-3-6-14(7-4-11)12(16)5-8-19-2/h10-11H,3-9H2,1-2H3
InChIKeySNCAWKBGFHHYJS-UHFFFAOYSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23826610) is 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CSCCC(=O)N1CCC(N2C(=O)OCC2C)CC1.
What is the InChIKey of 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is SNCAWKBGFHHYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10-9-18-13(17)15(10)11-3-6-14(7-4-11)12(16)5-8-19-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 286.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23826610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).