5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one

C15H17NO2S — CID 59934222

IUPAC5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one
SMILESCCn1c2c(c3c(OC)cccc31)C(C)SCC2=O
InChIInChI=1S/C15H17NO2S/c1-4-16-10-6-5-7-12(18-3)14(10)13-9(2)19-8-11(17)15(13)16/h5-7,9H,4,8H2,1-3H3
InChIKeyJLKKIQFHHGDKFJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.66
Rot. Bonds2

About 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one

5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one (PubChem CID 59934222) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one.

Molecular Properties

Compound Name5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one
PubChem CID59934222
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one
SMILESCCn1c2c(c3c(OC)cccc31)C(C)SCC2=O
InChIInChI=1S/C15H17NO2S/c1-4-16-10-6-5-7-12(18-3)14(10)13-9(2)19-8-11(17)15(13)16/h5-7,9H,4,8H2,1-3H3
InChIKeyJLKKIQFHHGDKFJ-UHFFFAOYSA-N
XLogP3.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
CID 141490009
2-[[(1R)-5-benzyl-1-carbamoyl-4-oxo-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162725
5-fluoro-8-methoxy-3-methyl-1H-isothiochromen-4-one
CID 82888216
ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide
CID 91024614
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
CID 172576602
9-benzyl-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 22739584
2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
CID 87150687
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one?
The IUPAC name of 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one (CID 59934222) is 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one.
What is the SMILES notation for 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one?
The canonical SMILES for 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one is CCn1c2c(c3c(OC)cccc31)C(C)SCC2=O.
What is the InChIKey of 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one?
The InChIKey is JLKKIQFHHGDKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-16-10-6-5-7-12(18-3)14(10)13-9(2)19-8-11(17)15(13)16/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one?
5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one has a molecular weight of 275.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one is sourced from PubChem (CID 59934222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).