(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide

C13H29NO2SSi — CID 90089971

IUPAC(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(CO[Si](C)(C)C(C)(C)C)=N\[S@@](=O)C(C)(C)C
InChIInChI=1S/C13H29NO2SSi/c1-11(14-17(15)12(2,3)4)10-16-18(8,9)13(5,6)7/h10H2,1-9H3/b14-11+/t17-/m0/s1
InChIKeyUPRRUUGLNYSULF-WKOYGUFESA-N
MW291.53 g/mol
LogP3.93
Rot. Bonds4

About (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 90089971) has the molecular formula C13H29NO2SSi and a molecular weight of 291.53 g/mol. Its IUPAC name is (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID90089971
Molecular FormulaC13H29NO2SSi
Molecular Weight291.53 g/mol
Exact Mass291.17
IUPAC Name(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(CO[Si](C)(C)C(C)(C)C)=N\[S@@](=O)C(C)(C)C
InChIInChI=1S/C13H29NO2SSi/c1-11(14-17(15)12(2,3)4)10-16-18(8,9)13(5,6)7/h10H2,1-9H3/b14-11+/t17-/m0/s1
InChIKeyUPRRUUGLNYSULF-WKOYGUFESA-N
XLogP3.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 123290362
(S)-N-butan-2-ylidene-2-methylpropane-2-sulfinamide
CID 129363243
(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
CID 177419638
tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
CID 24881766
N-[1-(5-bromo-2-fluorophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropylidene]-2-methylpropane-2-sulfinamide
CID 86650272
N-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]hydroxylamine
CID 171665671
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
CID 150420736
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
CID 10466927
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745
propan-2-yl 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 14922737

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide (CID 90089971) is (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide is C/C(CO[Si](C)(C)C(C)(C)C)=N\[S@@](=O)C(C)(C)C.
What is the InChIKey of (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is UPRRUUGLNYSULF-WKOYGUFESA-N. The full InChI is InChI=1S/C13H29NO2SSi/c1-11(14-17(15)12(2,3)4)10-16-18(8,9)13(5,6)7/h10H2,1-9H3/b14-11+/t17-/m0/s1.
What are the key properties of (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 291.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90089971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).