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

C19H29NO5SSi — CID 101268462

IUPACtriethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C/[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H29NO5SSi/c1-6-23-27(24-7-2,25-8-3)15-18-14-20(13-17(18)5)26(21,22)19-11-9-16(4)10-12-19/h9-12,15H,5-8,13-14H2,1-4H3/b18-15-
InChIKeyAQUIGAKYHVPXAY-SDXDJHTJSA-N
MW411.60 g/mol
LogP3.07
Rot. Bonds9

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

triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane (PubChem CID 101268462) has the molecular formula C19H29NO5SSi and a molecular weight of 411.60 g/mol. Its IUPAC name is triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
PubChem CID101268462
Molecular FormulaC19H29NO5SSi
Molecular Weight411.60 g/mol
Exact Mass411.15
IUPAC Nametriethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C/[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H29NO5SSi/c1-6-23-27(24-7-2,25-8-3)15-18-14-20(13-17(18)5)26(21,22)19-11-9-16(4)10-12-19/h9-12,15H,5-8,13-14H2,1-4H3/b18-15-
InChIKeyAQUIGAKYHVPXAY-SDXDJHTJSA-N
XLogP3.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
CID 102470760
(3E)-3-[(E)-hept-2-enylidene]-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11186588
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
trimethyl-[[(4E)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
CID 45115064
trimethyl-[(Z)-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(tributylstannylmethylidene)pyrrolidin-3-ylidene]methyl]silane
CID 177387514
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73050935
3-(2-ethoxypropan-2-yl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134866859
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide
CID 177490567
[4-[(1,3-dimethyl-1,3,2-diazaborolidin-2-yl)methylidene]-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl-trimethylstannane
CID 57374455
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
The IUPAC name of triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane (CID 101268462) is triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane.
What is the SMILES notation for triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
The canonical SMILES for triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane is C=C1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C/[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
The InChIKey is AQUIGAKYHVPXAY-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H29NO5SSi/c1-6-23-27(24-7-2,25-8-3)15-18-14-20(13-17(18)5)26(21,22)19-11-9-16(4)10-12-19/h9-12,15H,5-8,13-14H2,1-4H3/b18-15-.
What are the key properties of triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane has a molecular weight of 411.60 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane is sourced from PubChem (CID 101268462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).