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

C12H14N6OS — CID 43586905

IUPAC3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21
InChIInChI=1S/C12H14N6OS/c1-3-13-10-8-5-4-7(6-9(8)14-11(10)19)20-12-15-16-17-18(12)2/h4-6,10,13H,3H2,1-2H3,(H,14,19)
InChIKeyGDJOTQLBYDMVIY-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.96
Rot. Bonds4

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

3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43586905) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43586905
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21
InChIInChI=1S/C12H14N6OS/c1-3-13-10-8-5-4-7(6-9(8)14-11(10)19)20-12-15-16-17-18(12)2/h4-6,10,13H,3H2,1-2H3,(H,14,19)
InChIKeyGDJOTQLBYDMVIY-UHFFFAOYSA-N
XLogP0.96
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 43586905) is 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GDJOTQLBYDMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-3-13-10-8-5-4-7(6-9(8)14-11(10)19)20-12-15-16-17-18(12)2/h4-6,10,13H,3H2,1-2H3,(H,14,19).
What are the key properties of 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 290.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).