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

C8H8N5O4S- — CID 19374138

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCn1nnnc1SC(C(=O)[O-])N1C(=O)CCC1=O
InChIInChI=1S/C8H9N5O4S/c1-12-8(9-10-11-12)18-6(7(16)17)13-4(14)2-3-5(13)15/h6H,2-3H2,1H3,(H,16,17)/p-1
InChIKeyHFZFGAATLCXZPA-UHFFFAOYSA-M
MW270.25 g/mol
LogP-2.47
Rot. Bonds4

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

2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate (PubChem CID 19374138) has the molecular formula C8H8N5O4S- and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate
PubChem CID19374138
Molecular FormulaC8H8N5O4S-
Molecular Weight270.25 g/mol
Exact Mass270.03
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCn1nnnc1SC(C(=O)[O-])N1C(=O)CCC1=O
InChIInChI=1S/C8H9N5O4S/c1-12-8(9-10-11-12)18-6(7(16)17)13-4(14)2-3-5(13)15/h6H,2-3H2,1H3,(H,16,17)/p-1
InChIKeyHFZFGAATLCXZPA-UHFFFAOYSA-M
XLogP-2.47
TPSA121.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(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
(2,5-Dioxopyrrolidin-1-yl) 2-(1-methyltetrazol-5-yl)sulfanylacetate
CID 86184369
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
2-[1-(1-Methyl-2,5-dioxopyrrolidin-3-yl)tetrazol-5-yl]sulfanylacetic acid
CID 65688502
Methyl 2-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyltetrazol-1-yl]acetate
CID 65931449
Methyl 2-[5-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]tetrazol-1-yl]acetate
CID 65931450
Methyl 2-[5-(1-methyl-2-oxopyrrolidin-3-yl)sulfanyltetrazol-1-yl]acetate
CID 65932023
Methyl 2-[5-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanyltetrazol-1-yl]acetate
CID 65932229
Methyl 2-[5-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)sulfanyltetrazol-1-yl]acetate
CID 65932808
Methyl 2-[5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanyltetrazol-1-yl]acetate
CID 65934172
Methyl 2-[5-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyltetrazol-1-yl]acetate
CID 65947283

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate (CID 19374138) is 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate is Cn1nnnc1SC(C(=O)[O-])N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate?
The InChIKey is HFZFGAATLCXZPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9N5O4S/c1-12-8(9-10-11-12)18-6(7(16)17)13-4(14)2-3-5(13)15/h6H,2-3H2,1H3,(H,16,17)/p-1.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate?
2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate has a molecular weight of 270.25 g/mol, XLogP of -2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 19374138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).