4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C18H26N2O3S2 — CID 4985195

IUPAC4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)c2ccc(SC)s2)CC1
InChIInChI=1S/C18H26N2O3S2/c1-4-12(2)14-11-23-18(22)20(14)13-7-9-19(10-8-13)17(21)15-5-6-16(24-3)25-15/h5-6,12-14H,4,7-11H2,1-3H3
InChIKeyFBXXFPLLGBBCTK-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.94
Rot. Bonds5

About 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 4985195) has the molecular formula C18H26N2O3S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID4985195
Molecular FormulaC18H26N2O3S2
Molecular Weight382.55 g/mol
Exact Mass382.14
IUPAC Name4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)c2ccc(SC)s2)CC1
InChIInChI=1S/C18H26N2O3S2/c1-4-12(2)14-11-23-18(22)20(14)13-7-9-19(10-8-13)17(21)15-5-6-16(24-3)25-15/h5-6,12-14H,4,7-11H2,1-3H3
InChIKeyFBXXFPLLGBBCTK-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 4985195) is 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCC(C)C1COC(=O)N1C1CCN(C(=O)c2ccc(SC)s2)CC1.
What is the InChIKey of 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FBXXFPLLGBBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S2/c1-4-12(2)14-11-23-18(22)20(14)13-7-9-19(10-8-13)17(21)15-5-6-16(24-3)25-15/h5-6,12-14H,4,7-11H2,1-3H3.
What are the key properties of 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 382.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4985195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).