1,1-dioxothiophen-3-amine

C4H5NO2S — CID 82017721

IUPAC1,1-dioxothiophen-3-amine
SMILESNC1=CS(=O)(=O)C=C1
InChIInChI=1S/C4H5NO2S/c5-4-1-2-8(6,7)3-4/h1-3H,5H2
InChIKeyBYJGYTOWCUPDPP-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.27
Rot. Bonds

About 1,1-dioxothiophen-3-amine

1,1-dioxothiophen-3-amine (PubChem CID 82017721) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 1,1-dioxothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxothiophen-3-amine
PubChem CID82017721
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name1,1-dioxothiophen-3-amine
SMILESNC1=CS(=O)(=O)C=C1
InChIInChI=1S/C4H5NO2S/c5-4-1-2-8(6,7)3-4/h1-3H,5H2
InChIKeyBYJGYTOWCUPDPP-UHFFFAOYSA-N
XLogP-0.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxothiophen-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiophen-3-amine?
The IUPAC name of 1,1-dioxothiophen-3-amine (CID 82017721) is 1,1-dioxothiophen-3-amine.
What is the SMILES notation for 1,1-dioxothiophen-3-amine?
The canonical SMILES for 1,1-dioxothiophen-3-amine is NC1=CS(=O)(=O)C=C1.
What is the InChIKey of 1,1-dioxothiophen-3-amine?
The InChIKey is BYJGYTOWCUPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c5-4-1-2-8(6,7)3-4/h1-3H,5H2.
What are the key properties of 1,1-dioxothiophen-3-amine?
1,1-dioxothiophen-3-amine has a molecular weight of 131.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiophen-3-amine is sourced from PubChem (CID 82017721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).