N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide

C7H9N3O3S2 — CID 47262490

IUPACN-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cnsn1
InChIInChI=1S/C7H9N3O3S2/c11-7(6-3-8-14-10-6)9-5-1-2-15(12,13)4-5/h3,5H,1-2,4H2,(H,9,11)
InChIKeyJUQFYVIMPUHEOH-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.55
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47262490) has the molecular formula C7H9N3O3S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID47262490
Molecular FormulaC7H9N3O3S2
Molecular Weight247.30 g/mol
Exact Mass247.01
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cnsn1
InChIInChI=1S/C7H9N3O3S2/c11-7(6-3-8-14-10-6)9-5-1-2-15(12,13)4-5/h3,5H,1-2,4H2,(H,9,11)
InChIKeyJUQFYVIMPUHEOH-UHFFFAOYSA-N
XLogP-0.55
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide (CID 47262490) is N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cnsn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is JUQFYVIMPUHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S2/c11-7(6-3-8-14-10-6)9-5-1-2-15(12,13)4-5/h3,5H,1-2,4H2,(H,9,11).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47262490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).