(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid

C11H23NO4SSi — CID 175321794

IUPAC(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1COSN1C(=O)O
InChIInChI=1S/C11H23NO4SSi/c1-11(2,3)18(4,5)16-7-6-9-8-15-17-12(9)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)/t9-/m0/s1
InChIKeyOTUHAYIFZWWYCG-VIFPVBQESA-N
MW293.46 g/mol
LogP3.34
Rot. Bonds4

About (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid

(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid (PubChem CID 175321794) has the molecular formula C11H23NO4SSi and a molecular weight of 293.46 g/mol. Its IUPAC name is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
PubChem CID175321794
Molecular FormulaC11H23NO4SSi
Molecular Weight293.46 g/mol
Exact Mass293.11
IUPAC Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1COSN1C(=O)O
InChIInChI=1S/C11H23NO4SSi/c1-11(2,3)18(4,5)16-7-6-9-8-15-17-12(9)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)/t9-/m0/s1
InChIKeyOTUHAYIFZWWYCG-VIFPVBQESA-N
XLogP3.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
CID 87451074
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid (CID 175321794) is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid is CC(C)(C)[Si](C)(C)OCC[C@H]1COSN1C(=O)O.
What is the InChIKey of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid?
The InChIKey is OTUHAYIFZWWYCG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO4SSi/c1-11(2,3)18(4,5)16-7-6-9-8-15-17-12(9)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid?
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid has a molecular weight of 293.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid is sourced from PubChem (CID 175321794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).