trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane

C28H49NO2SSiSn — CID 45115064

IUPACtrimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
SMILESCCCC[Sn](/C=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC1=C[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C16H22NO2SSi.3C4H9.Sn/c1-13-6-8-16(9-7-13)20(18,19)17-10-14(2)15(11-17)12-21(3,4)5;3*1-3-4-2;/h2,6-9,12H,10-11H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyPLYRAVJPGWXRMB-UHFFFAOYSA-N
MW610.57 g/mol
LogP8.12
Rot. Bonds13

About trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane

trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane (PubChem CID 45115064) has the molecular formula C28H49NO2SSiSn and a molecular weight of 610.57 g/mol. Its IUPAC name is trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
PubChem CID45115064
Molecular FormulaC28H49NO2SSiSn
Molecular Weight610.57 g/mol
Exact Mass611.23
IUPAC Nametrimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
SMILESCCCC[Sn](/C=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC1=C[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C16H22NO2SSi.3C4H9.Sn/c1-13-6-8-16(9-7-13)20(18,19)17-10-14(2)15(11-17)12-21(3,4)5;3*1-3-4-2;/h2,6-9,12H,10-11H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyPLYRAVJPGWXRMB-UHFFFAOYSA-N
XLogP8.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 58.12
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

trimethyl-[(Z)-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
CID 177387514
[4-[(1,3-dimethyl-1,3,2-diazaborolidin-2-yl)methylidene]-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl-trimethylstannane
CID 57374455
(3E)-3-[(E)-hept-2-enylidene]-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11186588
triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
CID 101268462
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73050935
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
2-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethyl)pyrrolidin-3-yl]acetaldehyde
CID 177388128
2-[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethyl)pyrrolidin-3-yl]acetaldehyde
CID 14936724
5-butyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 10991122
(4Z)-2-(benzenesulfonyl)-7-butyl-6-propan-2-yloxy-4-(trimethylsilylmethylidene)-1,3-dihydroisoquinoline-5,8-dione
CID 10767758
tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
CID 11156581
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane?
The IUPAC name of trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane (CID 45115064) is trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane.
What is the SMILES notation for trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane?
The canonical SMILES for trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane is CCCC[Sn](/C=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC1=C[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane?
The InChIKey is PLYRAVJPGWXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO2SSi.3C4H9.Sn/c1-13-6-8-16(9-7-13)20(18,19)17-10-14(2)15(11-17)12-21(3,4)5;3*1-3-4-2;/h2,6-9,12H,10-11H2,1,3-5H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane?
trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane has a molecular weight of 610.57 g/mol, XLogP of 8.12, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane is sourced from PubChem (CID 45115064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).