5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

C11H13NO2S — CID 134935807

IUPAC5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCOc1cc(C)c2c(c1)C(SC)C(=O)N2
InChIInChI=1S/C11H13NO2S/c1-6-4-7(14-2)5-8-9(6)12-11(13)10(8)15-3/h4-5,10H,1-3H3,(H,12,13)
InChIKeyWSUVPTVPMNXCLP-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.36
Rot. Bonds2

About 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 134935807) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID134935807
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCOc1cc(C)c2c(c1)C(SC)C(=O)N2
InChIInChI=1S/C11H13NO2S/c1-6-4-7(14-2)5-8-9(6)12-11(13)10(8)15-3/h4-5,10H,1-3H3,(H,12,13)
InChIKeyWSUVPTVPMNXCLP-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 134996583
6-methoxy-8-methyl-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84623530
2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide
CID 167948794
7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 44719100
5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235316
6-methoxy-4-methylisoindole-1,3-dione
CID 66672340
(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole
CID 67733888
(3S)-5-chloro-3-methylsulfanyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 98113477
3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912366
7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 12923549
(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole
CID 67733864
7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 134935807) is 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is COc1cc(C)c2c(c1)C(SC)C(=O)N2.
What is the InChIKey of 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is WSUVPTVPMNXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-6-4-7(14-2)5-8-9(6)12-11(13)10(8)15-3/h4-5,10H,1-3H3,(H,12,13).
What are the key properties of 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 223.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134935807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).