3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide

C9H23NO3SSi — CID 153437849

IUPAC3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCCS(N)(=O)=O
InChIInChI=1S/C9H23NO3SSi/c1-9(2,3)15(4,5)13-7-6-8-14(10,11)12/h6-8H2,1-5H3,(H2,10,11,12)
InChIKeyMWQMYAQEUIIRKV-UHFFFAOYSA-N
MW253.44 g/mol
LogP1.69
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide

3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide (PubChem CID 153437849) has the molecular formula C9H23NO3SSi and a molecular weight of 253.44 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
PubChem CID153437849
Molecular FormulaC9H23NO3SSi
Molecular Weight253.44 g/mol
Exact Mass253.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCCS(N)(=O)=O
InChIInChI=1S/C9H23NO3SSi/c1-9(2,3)15(4,5)13-7-6-8-14(10,11)12/h6-8H2,1-5H3,(H2,10,11,12)
InChIKeyMWQMYAQEUIIRKV-UHFFFAOYSA-N
XLogP1.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
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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Related Compounds

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
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
CID 59819312
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
3-methoxypropane-1-sulfonamide
CID 22737399
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide (CID 153437849) is 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide is CC(C)(C)[Si](C)(C)OCCCS(N)(=O)=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide?
The InChIKey is MWQMYAQEUIIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3SSi/c1-9(2,3)15(4,5)13-7-6-8-14(10,11)12/h6-8H2,1-5H3,(H2,10,11,12).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide?
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide has a molecular weight of 253.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide is sourced from PubChem (CID 153437849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).