ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane

C16H25NO2S — CID 143558848

IUPACethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane
SMILESCC.CC(C)C.CCSc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C10H9NO2S.C4H10.C2H6/c1-2-14-6-3-4-8-7(5-6)9(12)10(13)11-8;1-4(2)3;1-2/h3-5H,2H2,1H3,(H,11,12,13);4H,1-3H3;1-2H3
InChIKeyAREURTFKZGRKGO-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.62
Rot. Bonds2

About ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane

ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane (PubChem CID 143558848) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane.

Molecular Properties

Compound Nameethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane
PubChem CID143558848
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Nameethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane
SMILESCC.CC(C)C.CCSc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C10H9NO2S.C4H10.C2H6/c1-2-14-6-3-4-8-7(5-6)9(12)10(13)11-8;1-4(2)3;1-2/h3-5H,2H2,1H3,(H,11,12,13);4H,1-3H3;1-2H3
InChIKeyAREURTFKZGRKGO-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane?
The IUPAC name of ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane (CID 143558848) is ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane.
What is the SMILES notation for ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane?
The canonical SMILES for ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane is CC.CC(C)C.CCSc1ccc2c(c1)C(=O)C(=O)N2.
What is the InChIKey of ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane?
The InChIKey is AREURTFKZGRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S.C4H10.C2H6/c1-2-14-6-3-4-8-7(5-6)9(12)10(13)11-8;1-4(2)3;1-2/h3-5H,2H2,1H3,(H,11,12,13);4H,1-3H3;1-2H3.
What are the key properties of ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane?
ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane has a molecular weight of 295.45 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane is sourced from PubChem (CID 143558848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).