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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842799
(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23850771
4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3671179
4-(4-butan-2-yl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-1-carbothioamide
CID 4994095
(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23935959
4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4982860
4-[(4S)-4-[(2S)-butan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carbothioamide
CID 74226157
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 3464347
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 4982859
ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3700877
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23939275

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).