3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione

C12H11N5O2S — CID 2967948

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESCn1nnnc1SC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H11N5O2S/c1-16-12(13-14-15-16)20-9-7-10(18)17(11(9)19)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyCYINJCKAAXWNHN-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.63
Rot. Bonds3

About 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione

3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 2967948) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID2967948
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESCn1nnnc1SC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H11N5O2S/c1-16-12(13-14-15-16)20-9-7-10(18)17(11(9)19)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyCYINJCKAAXWNHN-UHFFFAOYSA-N
XLogP0.63
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 9619306
1-phenyl-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
CID 3291456
1-[4-[(1-Cyclohexyltetrazol-5-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 1329086
1-[2-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 7801979
1-(4-Iodo-phenyl)-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-pyrrolidine-2,5-dione
CID 568292
Pyrrolidine-2,5-dione, 3-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-1-phenyl-
CID 2973118
1-(4-fluorophenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
CID 2918223
Butanamide, N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-N-phenyl-
CID 3062251
Butanamide, N-(4-(dimethylamino)phenyl)-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062255
2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 805229
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 4813931

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 2967948) is 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione is Cn1nnnc1SC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is CYINJCKAAXWNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-16-12(13-14-15-16)20-9-7-10(18)17(11(9)19)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 289.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2967948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).