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

C11H12N6OS — CID 43586904

IUPAC3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21
InChIInChI=1S/C11H12N6OS/c1-12-9-7-4-3-6(5-8(7)13-10(9)18)19-11-14-15-16-17(11)2/h3-5,9,12H,1-2H3,(H,13,18)
InChIKeyVGPWLIIXJPBGCY-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.57
Rot. Bonds3

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

3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43586904) has the molecular formula C11H12N6OS and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43586904
Molecular FormulaC11H12N6OS
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC Name3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21
InChIInChI=1S/C11H12N6OS/c1-12-9-7-4-3-6(5-8(7)13-10(9)18)19-11-14-15-16-17(11)2/h3-5,9,12H,1-2H3,(H,13,18)
InChIKeyVGPWLIIXJPBGCY-UHFFFAOYSA-N
XLogP0.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 43586904) is 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21.
What is the InChIKey of 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is VGPWLIIXJPBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-12-9-7-4-3-6(5-8(7)13-10(9)18)19-11-14-15-16-17(11)2/h3-5,9,12H,1-2H3,(H,13,18).
What are the key properties of 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 276.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).