tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane

C19H35NO2SSi — CID 15265738

IUPACtert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane
SMILESCc1ccc(S(C)(=O)=N[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C19H35NO2SSi/c1-15(2)18(14-22-24(8,9)19(4,5)6)20-23(7,21)17-12-10-16(3)11-13-17/h10-13,15,18H,14H2,1-9H3/t18-,23?/m0/s1
InChIKeyXHJBJTVGPBSIEG-XNUZUHMRSA-N
MW369.65 g/mol
LogP5.50
Rot. Bonds6

About tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane

tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane (PubChem CID 15265738) has the molecular formula C19H35NO2SSi and a molecular weight of 369.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane
PubChem CID15265738
Molecular FormulaC19H35NO2SSi
Molecular Weight369.65 g/mol
Exact Mass369.22
IUPAC Nametert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane
SMILESCc1ccc(S(C)(=O)=N[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C19H35NO2SSi/c1-15(2)18(14-22-24(8,9)19(4,5)6)20-23(7,21)17-12-10-16(3)11-13-17/h10-13,15,18H,14H2,1-9H3/t18-,23?/m0/s1
InChIKeyXHJBJTVGPBSIEG-XNUZUHMRSA-N
XLogP5.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.65
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
CID 24881766
3-(4-Methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134845601
(3S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134845999
2-[[Chloromethyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]-3-methylbutan-1-ol
CID 134846178
(5S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134846297
3-Methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butan-1-ol
CID 134860850
tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane
CID 134933295
(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide
CID 134971582
triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane
CID 138970930
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 166438203
tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfanylidene]amino]butoxy]silane
CID 10502420
tert-butyl-[(2R)-2-[[(3,3-dimethylcyclohexen-1-yl)methyl-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfanylidene]amino]-3-methylbutoxy]-dimethylsilane
CID 10506421

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane (CID 15265738) is tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane is Cc1ccc(S(C)(=O)=N[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane?
The InChIKey is XHJBJTVGPBSIEG-XNUZUHMRSA-N. The full InChI is InChI=1S/C19H35NO2SSi/c1-15(2)18(14-22-24(8,9)19(4,5)6)20-23(7,21)17-12-10-16(3)11-13-17/h10-13,15,18H,14H2,1-9H3/t18-,23?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane?
tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane has a molecular weight of 369.65 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]butoxy]silane is sourced from PubChem (CID 15265738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).