1,1-dioxothieno[2,3-d][1,2]thiazol-3-one

C5H3NO3S2 — CID 14086550

IUPAC1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
SMILESO=C1NS(=O)(=O)c2ccsc21
InChIInChI=1S/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)
InChIKeyXVCRMQNYJBQTPD-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.18
Rot. Bonds

About 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one

1,1-dioxothieno[2,3-d][1,2]thiazol-3-one (PubChem CID 14086550) has the molecular formula C5H3NO3S2 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one.

Molecular Properties

Compound Name1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
PubChem CID14086550
Molecular FormulaC5H3NO3S2
Molecular Weight189.22 g/mol
Exact Mass188.96
IUPAC Name1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
SMILESO=C1NS(=O)(=O)c2ccsc21
InChIInChI=1S/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)
InChIKeyXVCRMQNYJBQTPD-UHFFFAOYSA-N
XLogP0.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno-saccharine
CID 139595901
4-[(Thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide
CID 6486060
3-Sulfamoylthiophene-2-carboxamide
CID 18331866
2-Methylthieno(2,3-d)isothiazol-3(2H)-one 1,1-dioxide
CID 10058700
5-Sulfamoylthiophene-2-carboxamide
CID 22902027
N-(thiophene-2-carbonyl)sulfamoyl fluoride
CID 178339929
4-(1-Pyrrolidinylsulfonyl)-2-thiophenecarboxamide
CID 6486028
4-Sulfamoylthiophene-2-carboxamide
CID 6503875
N-(trifluoromethylsulfonyl)thiophene-2-carboxamide
CID 155621229
3-Methanesulphonyl-thiophene-2-carboxamide
CID 605171
4-Methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
CID 16640189
5-Methylsulfonylthiophene-2-carboxamide
CID 12836070

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
The IUPAC name of 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one (CID 14086550) is 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one.
What is the SMILES notation for 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
The canonical SMILES for 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one is O=C1NS(=O)(=O)c2ccsc21.
What is the InChIKey of 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
The InChIKey is XVCRMQNYJBQTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7).
What are the key properties of 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
1,1-dioxothieno[2,3-d][1,2]thiazol-3-one has a molecular weight of 189.22 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothieno[2,3-d][1,2]thiazol-3-one is sourced from PubChem (CID 14086550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).