tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane

C19H32F3NO2SSi — CID 10502420

IUPACtert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane
SMILESCC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N=S(C)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H32F3NO2SSi/c1-14(2)17(13-25-27(7,8)18(3,4)5)23-26(6,24)16-11-9-15(10-12-16)19(20,21)22/h9-12,14,17H,13H2,1-8H3/t17-,26?/m0/s1
InChIKeyNWNSENNWDSEXQM-WFFHQLTOSA-N
MW423.62 g/mol
LogP6.21
Rot. Bonds6

About tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane

tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane (PubChem CID 10502420) has the molecular formula C19H32F3NO2SSi and a molecular weight of 423.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane
PubChem CID10502420
Molecular FormulaC19H32F3NO2SSi
Molecular Weight423.62 g/mol
Exact Mass423.19
IUPAC Nametert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane
SMILESCC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N=S(C)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H32F3NO2SSi/c1-14(2)17(13-25-27(7,8)18(3,4)5)23-26(6,24)16-11-9-15(10-12-16)19(20,21)22/h9-12,14,17H,13H2,1-8H3/t17-,26?/m0/s1
InChIKeyNWNSENNWDSEXQM-WFFHQLTOSA-N
XLogP6.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 56.21
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

3-Methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfanylidene]amino]butan-1-ol
CID 22298438
(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfanylidene]amino]butan-1-ol
CID 25039491
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
(5S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134846297
(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide
CID 134971582
(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfanylidene]amino]butan-1-ol
CID 641998
tert-butyl-[(2R)-2-[[(3,3-dimethylcyclohexen-1-yl)methyl-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfanylidene]amino]-3-methylbutoxy]-dimethylsilane
CID 10506421
3-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclohex-2-en-1-one
CID 10529902
N-[(2R)-3-methyl-1-trimethylsilyloxybutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide
CID 10570998
1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol
CID 10720406
(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-(trifluoromethyl)benzenesulfinamide
CID 10787680

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane (CID 10502420) is tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane is CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N=S(C)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane?
The InChIKey is NWNSENNWDSEXQM-WFFHQLTOSA-N. The full InChI is InChI=1S/C19H32F3NO2SSi/c1-14(2)17(13-25-27(7,8)18(3,4)5)23-26(6,24)16-11-9-15(10-12-16)19(20,21)22/h9-12,14,17H,13H2,1-8H3/t17-,26?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane?
tert-butyl-dimethyl-[(2R)-3-methyl-2-[[methyl-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane has a molecular weight of 423.62 g/mol, XLogP of 6.21, 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-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanylidene]amino]butoxy]silane is sourced from PubChem (CID 10502420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).