(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone

C15H17NO4S — CID 80649078

IUPAC(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)C3CCS(=O)(=O)C3)c2c1
InChIInChI=1S/C15H17NO4S/c1-2-20-11-3-4-14-12(7-11)13(8-16-14)15(17)10-5-6-21(18,19)9-10/h3-4,7-8,10,16H,2,5-6,9H2,1H3
InChIKeyMUIUYROLJSUZCP-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.18
Rot. Bonds4

About (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone

(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone (PubChem CID 80649078) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone
PubChem CID80649078
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)C3CCS(=O)(=O)C3)c2c1
InChIInChI=1S/C15H17NO4S/c1-2-20-11-3-4-14-12(7-11)13(8-16-14)15(17)10-5-6-21(18,19)9-10/h3-4,7-8,10,16H,2,5-6,9H2,1H3
InChIKeyMUIUYROLJSUZCP-UHFFFAOYSA-N
XLogP2.18
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092
(5-bromo-2-ethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64911303
2-[(3S)-1,1-dioxothiolan-3-yl]oxy-5-ethoxyphenol
CID 99975160
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643741
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
5-ethoxy-3-methyl-1H-indole
CID 82490542

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone (CID 80649078) is (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone is CCOc1ccc2[nH]cc(C(=O)C3CCS(=O)(=O)C3)c2c1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
The InChIKey is MUIUYROLJSUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-2-20-11-3-4-14-12(7-11)13(8-16-14)15(17)10-5-6-21(18,19)9-10/h3-4,7-8,10,16H,2,5-6,9H2,1H3.
What are the key properties of (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone has a molecular weight of 307.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80649078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).