6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one

C18H26ClNO2SSi — CID 151313382

IUPAC6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)C2(CCSCC2)c2ccc(Cl)cc21
InChIInChI=1S/C18H26ClNO2SSi/c1-24(2,3)11-8-22-13-20-16-12-14(19)4-5-15(16)18(17(20)21)6-9-23-10-7-18/h4-5,12H,6-11,13H2,1-3H3
InChIKeyOEXHVQKURTYKTO-UHFFFAOYSA-N
MW384.02 g/mol
LogP4.76
Rot. Bonds5

About 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one

6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one (PubChem CID 151313382) has the molecular formula C18H26ClNO2SSi and a molecular weight of 384.02 g/mol. Its IUPAC name is 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one
PubChem CID151313382
Molecular FormulaC18H26ClNO2SSi
Molecular Weight384.02 g/mol
Exact Mass383.11
IUPAC Name6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)C2(CCSCC2)c2ccc(Cl)cc21
InChIInChI=1S/C18H26ClNO2SSi/c1-24(2,3)11-8-22-13-20-16-12-14(19)4-5-15(16)18(17(20)21)6-9-23-10-7-18/h4-5,12H,6-11,13H2,1-3H3
InChIKeyOEXHVQKURTYKTO-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.02
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one?
The IUPAC name of 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one (CID 151313382) is 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one.
What is the SMILES notation for 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one?
The canonical SMILES for 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one is C[Si](C)(C)CCOCN1C(=O)C2(CCSCC2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one?
The InChIKey is OEXHVQKURTYKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2SSi/c1-24(2,3)11-8-22-13-20-16-12-14(19)4-5-15(16)18(17(20)21)6-9-23-10-7-18/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one?
6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one has a molecular weight of 384.02 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one is sourced from PubChem (CID 151313382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).