trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane

C16H23NO2SSi — CID 102434471

IUPACtrimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane
SMILESC=C1CCN(S(=O)(=O)c2ccc(C)cc2)/C1=C/[Si](C)(C)C
InChIInChI=1S/C16H23NO2SSi/c1-13-6-8-15(9-7-13)20(18,19)17-11-10-14(2)16(17)12-21(3,4)5/h6-9,12H,2,10-11H2,1,3-5H3/b16-12+
InChIKeyMFMKSMOKVAZOFN-FOWTUZBSSA-N
MW321.52 g/mol
LogP3.71
Rot. Bonds3

About trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane

trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane (PubChem CID 102434471) has the molecular formula C16H23NO2SSi and a molecular weight of 321.52 g/mol. Its IUPAC name is trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane
PubChem CID102434471
Molecular FormulaC16H23NO2SSi
Molecular Weight321.52 g/mol
Exact Mass321.12
IUPAC Nametrimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane
SMILESC=C1CCN(S(=O)(=O)c2ccc(C)cc2)/C1=C/[Si](C)(C)C
InChIInChI=1S/C16H23NO2SSi/c1-13-6-8-15(9-7-13)20(18,19)17-11-10-14(2)16(17)12-21(3,4)5/h6-9,12H,2,10-11H2,1,3-5H3/b16-12+
InChIKeyMFMKSMOKVAZOFN-FOWTUZBSSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
1-(4-methylphenyl)sulfonyl-2-propan-2-ylideneazetidine
CID 101424960
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
CID 101058095
7,10,20,23-tetrakis-(4-methylphenyl)sulfonyl-7,10,20,23-tetrazapentacyclo[22.2.2.23,6.211,14.216,19]tetratriaconta-1(26),3(34),4,6(33),11(32),12,14(31),16,18,24,27,29-dodecaene
CID 177484771
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one
CID 164898018
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane?
The IUPAC name of trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane (CID 102434471) is trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane.
What is the SMILES notation for trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane?
The canonical SMILES for trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane is C=C1CCN(S(=O)(=O)c2ccc(C)cc2)/C1=C/[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane?
The InChIKey is MFMKSMOKVAZOFN-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H23NO2SSi/c1-13-6-8-15(9-7-13)20(18,19)17-11-10-14(2)16(17)12-21(3,4)5/h6-9,12H,2,10-11H2,1,3-5H3/b16-12+.
What are the key properties of trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane?
trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane has a molecular weight of 321.52 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane is sourced from PubChem (CID 102434471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).