ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione

C10H15NO2S — CID 142135474

IUPACethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
SMILESCC.CN1C(=O)C=C2SCCC2C1=O
InChIInChI=1S/C8H9NO2S.C2H6/c1-9-7(10)4-6-5(8(9)11)2-3-12-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyOHGGTYBSDNBGEI-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.65
Rot. Bonds

About ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione

ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione (PubChem CID 142135474) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione.

Molecular Properties

Compound Nameethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
PubChem CID142135474
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
SMILESCC.CN1C(=O)C=C2SCCC2C1=O
InChIInChI=1S/C8H9NO2S.C2H6/c1-9-7(10)4-6-5(8(9)11)2-3-12-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyOHGGTYBSDNBGEI-UHFFFAOYSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The IUPAC name of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione (CID 142135474) is ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione.
What is the SMILES notation for ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The canonical SMILES for ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione is CC.CN1C(=O)C=C2SCCC2C1=O.
What is the InChIKey of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The InChIKey is OHGGTYBSDNBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.C2H6/c1-9-7(10)4-6-5(8(9)11)2-3-12-6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione has a molecular weight of 213.30 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione is sourced from PubChem (CID 142135474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).