tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane

C24H35NO2SSi — CID 10765039

IUPACtert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane
SMILESCN=S(=O)(/C=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H35NO2SSi/c1-20(18-19-28(26,25-5)22-16-12-9-13-17-22)23(21-14-10-8-11-15-21)27-29(6,7)24(2,3)4/h8-20,23H,1-7H3/b19-18+/t20-,23-,28?/m1/s1
InChIKeyIOIIWCMZTABSGK-SPERNMBZSA-N
MW429.70 g/mol
LogP7.06
Rot. Bonds7

About tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane

tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane (PubChem CID 10765039) has the molecular formula C24H35NO2SSi and a molecular weight of 429.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane
PubChem CID10765039
Molecular FormulaC24H35NO2SSi
Molecular Weight429.70 g/mol
Exact Mass429.22
IUPAC Nametert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane
SMILESCN=S(=O)(/C=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H35NO2SSi/c1-20(18-19-28(26,25-5)22-16-12-9-13-17-22)23(21-14-10-8-11-15-21)27-29(6,7)24(2,3)4/h8-20,23H,1-7H3/b19-18+/t20-,23-,28?/m1/s1
InChIKeyIOIIWCMZTABSGK-SPERNMBZSA-N
XLogP7.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.70
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane (CID 10765039) is tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane is CN=S(=O)(/C=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane?
The InChIKey is IOIIWCMZTABSGK-SPERNMBZSA-N. The full InChI is InChI=1S/C24H35NO2SSi/c1-20(18-19-28(26,25-5)22-16-12-9-13-17-22)23(21-14-10-8-11-15-21)27-29(6,7)24(2,3)4/h8-20,23H,1-7H3/b19-18+/t20-,23-,28?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane?
tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane has a molecular weight of 429.70 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane is sourced from PubChem (CID 10765039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).