3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione

C13H12N2O4S — CID 155484473

IUPAC3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCSc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C13H12N2O4S/c1-20-7-2-3-8-10(6-7)19-13(18)15(8)9-4-5-11(16)14-12(9)17/h2-3,6,9H,4-5H2,1H3,(H,14,16,17)
InChIKeyGODBHKIEOKMSSV-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.29
Rot. Bonds2

About 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione

3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 155484473) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID155484473
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCSc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C13H12N2O4S/c1-20-7-2-3-8-10(6-7)19-13(18)15(8)9-4-5-11(16)14-12(9)17/h2-3,6,9H,4-5H2,1H3,(H,14,16,17)
InChIKeyGODBHKIEOKMSSV-UHFFFAOYSA-N
XLogP1.29
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172589997
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
tert-butyl (E)-3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]prop-2-enoate
CID 177301843
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172592649
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156508255
3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
CID 160638282
3-[2-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172591531
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 155484473) is 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is CSc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is GODBHKIEOKMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-20-7-2-3-8-10(6-7)19-13(18)15(8)9-4-5-11(16)14-12(9)17/h2-3,6,9H,4-5H2,1H3,(H,14,16,17).
What are the key properties of 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 292.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 155484473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).