O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate

C15H25NOSSi — CID 87249033

IUPACO-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate
SMILESCCN(CCCC(=S)Oc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H25NOSSi/c1-5-16(19(2,3)4)13-9-12-15(18)17-14-10-7-6-8-11-14/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyAJVGBVOSSAQAIN-UHFFFAOYSA-N
MW295.52 g/mol
LogP4.33
Rot. Bonds7

About O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate

O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate (PubChem CID 87249033) has the molecular formula C15H25NOSSi and a molecular weight of 295.52 g/mol. Its IUPAC name is O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate.

Molecular Properties

Compound NameO-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate
PubChem CID87249033
Molecular FormulaC15H25NOSSi
Molecular Weight295.52 g/mol
Exact Mass295.14
IUPAC NameO-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate
SMILESCCN(CCCC(=S)Oc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H25NOSSi/c1-5-16(19(2,3)4)13-9-12-15(18)17-14-10-7-6-8-11-14/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyAJVGBVOSSAQAIN-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-phenyl 2-[tert-butyl(dimethyl)silyl]ethanethioate
CID 140978367
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
O-phenyl 5-[ethyl(trimethylsilyl)amino]pyrimidine-2-carbothioate
CID 87248871
O-phenyl 3-[bis(trimethylsilyl)amino]hex-5-ynethioate
CID 87248817
triethyl(1-phenoxyprop-1-enyl)silane
CID 23265307
phenyl N-butyl-N-methylcarbamate
CID 564973
N-ethyl-N-[methyl(diphenyl)silyl]ethanamine
CID 13314563
2-(2-phenoxy-2-sulfanylideneethoxy)acetic acid
CID 150690541
O-(4-hydroxyphenyl) 4-bromobutanethioate
CID 87767576
phenyl butanoate
CID 20354
O-phenyl N-[3-[tert-butyl(methyl)amino]propyl]-N-methylcarbamothioate
CID 100998038
phenyl dopentacontanoate
CID 139682818

Frequently Asked Questions

What is the IUPAC name of O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate?
The IUPAC name of O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate (CID 87249033) is O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate.
What is the SMILES notation for O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate?
The canonical SMILES for O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate is CCN(CCCC(=S)Oc1ccccc1)[Si](C)(C)C.
What is the InChIKey of O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate?
The InChIKey is AJVGBVOSSAQAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOSSi/c1-5-16(19(2,3)4)13-9-12-15(18)17-14-10-7-6-8-11-14/h6-8,10-11H,5,9,12-13H2,1-4H3.
What are the key properties of O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate?
O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate has a molecular weight of 295.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-phenyl 4-[ethyl(trimethylsilyl)amino]butanethioate is sourced from PubChem (CID 87249033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).