1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

C12H13N5OS — CID 861216

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C12H13N5OS/c1-16-12(13-14-15-16)19-8-11(18)17-7-6-9-4-2-3-5-10(9)17/h2-5H,6-8H2,1H3
InChIKeyMUDWPPWPIHPZFO-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.89
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 861216) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID861216
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C12H13N5OS/c1-16-12(13-14-15-16)19-8-11(18)17-7-6-9-4-2-3-5-10(9)17/h2-5H,6-8H2,1H3
InChIKeyMUDWPPWPIHPZFO-UHFFFAOYSA-N
XLogP0.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 861216) is 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is Cn1nnnc1SCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is MUDWPPWPIHPZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-16-12(13-14-15-16)19-8-11(18)17-7-6-9-4-2-3-5-10(9)17/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 275.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 861216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).