3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

C10H9N5O2S — CID 55238892

IUPAC3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C10H9N5O2S/c1-15-10(12-13-14-15)18-5-2-3-6-7(4-5)11-9(17)8(6)16/h2-4,8,16H,1H3,(H,11,17)
InChIKeyGMNUTMSMXSVKTF-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.35
Rot. Bonds2

About 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 55238892) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID55238892
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C10H9N5O2S/c1-15-10(12-13-14-15)18-5-2-3-6-7(4-5)11-9(17)8(6)16/h2-4,8,16H,1H3,(H,11,17)
InChIKeyGMNUTMSMXSVKTF-UHFFFAOYSA-N
XLogP0.35
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 55238892) is 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is Cn1nnnc1Sc1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GMNUTMSMXSVKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c1-15-10(12-13-14-15)18-5-2-3-6-7(4-5)11-9(17)8(6)16/h2-4,8,16H,1H3,(H,11,17).
What are the key properties of 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 263.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 55238892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).