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

C10H10N6OS — CID 43586903

IUPAC3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C10H10N6OS/c1-16-10(13-14-15-16)18-5-2-3-6-7(4-5)12-9(17)8(6)11/h2-4,8H,11H2,1H3,(H,12,17)
InChIKeyGQGSLWBWUXCVSB-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.31
Rot. Bonds2

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

3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43586903) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43586903
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C10H10N6OS/c1-16-10(13-14-15-16)18-5-2-3-6-7(4-5)12-9(17)8(6)11/h2-4,8H,11H2,1H3,(H,12,17)
InChIKeyGQGSLWBWUXCVSB-UHFFFAOYSA-N
XLogP0.31
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
CID 80758749
(2S)-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}indoline-2-carboxamide
CID 56864747
5-Amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43383198
5-Amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43451976
6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
CID 43586482
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
CID 43586496
3-(Methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586904
3-(Ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586905
6-(1-Methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586906
3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586910
3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586911
3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586912

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 43586903) is 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is Cn1nnnc1Sc1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GQGSLWBWUXCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-16-10(13-14-15-16)18-5-2-3-6-7(4-5)12-9(17)8(6)11/h2-4,8H,11H2,1H3,(H,12,17).
What are the key properties of 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 262.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).