(2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate

C8H9N5O4S — CID 86184369

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCn1nnnc1SCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9N5O4S/c1-12-8(9-10-11-12)18-4-7(16)17-13-5(14)2-3-6(13)15/h2-4H2,1H3
InChIKeyVGROSYOXZNJPEM-UHFFFAOYSA-N
MW271.26 g/mol
LogP-1.09
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate

(2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate (PubChem CID 86184369) has the molecular formula C8H9N5O4S and a molecular weight of 271.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate
PubChem CID86184369
Molecular FormulaC8H9N5O4S
Molecular Weight271.26 g/mol
Exact Mass271.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCn1nnnc1SCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9N5O4S/c1-12-8(9-10-11-12)18-4-7(16)17-13-5(14)2-3-6(13)15/h2-4H2,1H3
InChIKeyVGROSYOXZNJPEM-UHFFFAOYSA-N
XLogP-1.09
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-Dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetic acid
CID 19374139
2-(2,5-Dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate
CID 19374138
1-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 24234561
1-[2-(1-Methyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35358067

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate (CID 86184369) is (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate is Cn1nnnc1SCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate?
The InChIKey is VGROSYOXZNJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4S/c1-12-8(9-10-11-12)18-4-7(16)17-13-5(14)2-3-6(13)15/h2-4H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate?
(2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate has a molecular weight of 271.26 g/mol, XLogP of -1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 86184369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).