[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane

C28H26O2SSi — CID 11004939

IUPAC[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane
SMILESC[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26O2SSi/c1-28(31(29,30)23-14-6-2-7-15-23)22-27(28)32(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,22H2,1H3/t27-,28-/m0/s1
InChIKeyZVVULFYUENYKGM-NSOVKSMOSA-N
MW454.67 g/mol
LogP4.16
Rot. Bonds6

About [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane

[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane (PubChem CID 11004939) has the molecular formula C28H26O2SSi and a molecular weight of 454.67 g/mol. Its IUPAC name is [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane.

Molecular Properties

Compound Name[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane
PubChem CID11004939
Molecular FormulaC28H26O2SSi
Molecular Weight454.67 g/mol
Exact Mass454.14
IUPAC Name[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane
SMILESC[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26O2SSi/c1-28(31(29,30)23-14-6-2-7-15-23)22-27(28)32(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,22H2,1H3/t27-,28-/m0/s1
InChIKeyZVVULFYUENYKGM-NSOVKSMOSA-N
XLogP4.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.67
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
CID 102329624
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
1-(benzenesulfonyl)-3-methylbicyclo[1.1.1]pentane
CID 45097762
(1S,5R)-3-(benzenesulfonyl)-3-phenyl-6-oxabicyclo[3.1.0]hexane
CID 10870308
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane
CID 23726952
1-(benzenesulfonyl)bicyclo[2.1.0]pentane
CID 15737679
[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene
CID 122208595
cis-(1R,2S)-2-(benzenesulfonyl)-1,2-dimethylcyclohexan-1-ol
CID 899860
(1S,2S,5R,6R)-1,2-bis(benzenesulfonyl)tricyclo[4.2.0.02,5]octane
CID 11090383
[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
1-(benzenesulfonyl)cyclopropan-1-ol
CID 24799052

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane?
The IUPAC name of [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane (CID 11004939) is [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane.
What is the SMILES notation for [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane?
The canonical SMILES for [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane is C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane?
The InChIKey is ZVVULFYUENYKGM-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H26O2SSi/c1-28(31(29,30)23-14-6-2-7-15-23)22-27(28)32(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,22H2,1H3/t27-,28-/m0/s1.
What are the key properties of [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane?
[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane has a molecular weight of 454.67 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane is sourced from PubChem (CID 11004939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).