6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one

C16H18N2OS — CID 22461299

IUPAC6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
SMILESCSc1cn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C16H18N2OS/c1-16(2)8-11-15(12(19)9-16)13(20-3)10-18(11)14-6-4-5-7-17-14/h4-7,10H,8-9H2,1-3H3
InChIKeyAUZQJKNZXXRGEX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.75
Rot. Bonds2

About 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one

6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one (PubChem CID 22461299) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
PubChem CID22461299
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
SMILESCSc1cn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C16H18N2OS/c1-16(2)8-11-15(12(19)9-16)13(20-3)10-18(11)14-6-4-5-7-17-14/h4-7,10H,8-9H2,1-3H3
InChIKeyAUZQJKNZXXRGEX-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one (CID 22461299) is 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one is CSc1cn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
The InChIKey is AUZQJKNZXXRGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2)8-11-15(12(19)9-16)13(20-3)10-18(11)14-6-4-5-7-17-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one?
6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one has a molecular weight of 286.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one is sourced from PubChem (CID 22461299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).