(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide

C14H31NO3SSi — CID 145359416

IUPAC(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)C[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C14H31NO3SSi/c1-8-13(11-12(2)19(15,16)17)9-10-18-20(6,7)14(3,4)5/h8,12-13H,1,9-11H2,2-7H3,(H2,15,16,17)/t12-,13?/m1/s1
InChIKeyGTOSPFBMZMFOAZ-PZORYLMUSA-N
MW321.56 g/mol
LogP3.27
Rot. Bonds8

About (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide

(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide (PubChem CID 145359416) has the molecular formula C14H31NO3SSi and a molecular weight of 321.56 g/mol. Its IUPAC name is (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
PubChem CID145359416
Molecular FormulaC14H31NO3SSi
Molecular Weight321.56 g/mol
Exact Mass321.18
IUPAC Name(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)C[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C14H31NO3SSi/c1-8-13(11-12(2)19(15,16)17)9-10-18-20(6,7)14(3,4)5/h8,12-13H,1,9-11H2,2-7H3,(H2,15,16,17)/t12-,13?/m1/s1
InChIKeyGTOSPFBMZMFOAZ-PZORYLMUSA-N
XLogP3.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
CID 145359169
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
CID 153437849
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
CID 66552565
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
dimethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enyl]-2-but-2-ynylpropanedioate
CID 102081241
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide?
The IUPAC name of (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide (CID 145359416) is (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide?
The canonical SMILES for (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide is C=CC(CCO[Si](C)(C)C(C)(C)C)C[C@@H](C)S(N)(=O)=O.
What is the InChIKey of (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide?
The InChIKey is GTOSPFBMZMFOAZ-PZORYLMUSA-N. The full InChI is InChI=1S/C14H31NO3SSi/c1-8-13(11-12(2)19(15,16)17)9-10-18-20(6,7)14(3,4)5/h8,12-13H,1,9-11H2,2-7H3,(H2,15,16,17)/t12-,13?/m1/s1.
What are the key properties of (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide?
(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide has a molecular weight of 321.56 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide is sourced from PubChem (CID 145359416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).