1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide

C16H25NO3SSi — CID 126819818

IUPAC1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide
SMILESC[Si](C)(C)CCc1ccc(NC(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H25NO3SSi/c1-22(2,3)11-9-13-4-6-15(7-5-13)17-16(18)14-8-10-21(19,20)12-14/h4-7,14H,8-12H2,1-3H3,(H,17,18)
InChIKeyGGHYZNLKLYUZFS-UHFFFAOYSA-N
MW339.53 g/mol
LogP2.94
Rot. Bonds5

About 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide

1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide (PubChem CID 126819818) has the molecular formula C16H25NO3SSi and a molecular weight of 339.53 g/mol. Its IUPAC name is 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide
PubChem CID126819818
Molecular FormulaC16H25NO3SSi
Molecular Weight339.53 g/mol
Exact Mass339.13
IUPAC Name1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide
SMILESC[Si](C)(C)CCc1ccc(NC(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H25NO3SSi/c1-22(2,3)11-9-13-4-6-15(7-5-13)17-16(18)14-8-10-21(19,20)12-14/h4-7,14H,8-12H2,1-3H3,(H,17,18)
InChIKeyGGHYZNLKLYUZFS-UHFFFAOYSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
1,1-dioxo-N-[4-(propylaminomethyl)phenyl]thiolane-3-carboxamide
CID 106910300
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 55714823
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
N-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 107231377
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide (CID 126819818) is 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide is C[Si](C)(C)CCc1ccc(NC(=O)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide?
The InChIKey is GGHYZNLKLYUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3SSi/c1-22(2,3)11-9-13-4-6-15(7-5-13)17-16(18)14-8-10-21(19,20)12-14/h4-7,14H,8-12H2,1-3H3,(H,17,18).
What are the key properties of 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide?
1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide has a molecular weight of 339.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide is sourced from PubChem (CID 126819818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).