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

C13H16N6OS — CID 43586906

IUPAC6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21
InChIInChI=1S/C13H16N6OS/c1-3-6-14-11-9-5-4-8(7-10(9)15-12(11)20)21-13-16-17-18-19(13)2/h4-5,7,11,14H,3,6H2,1-2H3,(H,15,20)
InChIKeyURNBQQRKCWTEFQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.35
Rot. Bonds5

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

6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 43586906) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID43586906
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21
InChIInChI=1S/C13H16N6OS/c1-3-6-14-11-9-5-4-8(7-10(9)15-12(11)20)21-13-16-17-18-19(13)2/h4-5,7,11,14H,3,6H2,1-2H3,(H,15,20)
InChIKeyURNBQQRKCWTEFQ-UHFFFAOYSA-N
XLogP1.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one (CID 43586906) is 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(Sc3nnnn3C)ccc21.
What is the InChIKey of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is URNBQQRKCWTEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-3-6-14-11-9-5-4-8(7-10(9)15-12(11)20)21-13-16-17-18-19(13)2/h4-5,7,11,14H,3,6H2,1-2H3,(H,15,20).
What are the key properties of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 304.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).