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

C19H31NO5SSi — CID 102470760

IUPACtriethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
SMILESCCO[Si](/C=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC1C)(OCC)OCC
InChIInChI=1S/C19H31NO5SSi/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/h9-12,15,17H,6-8,13-14H2,1-5H3/b18-15-
InChIKeyHNWHBNHGDAGYRC-SDXDJHTJSA-N
MW413.61 g/mol
LogP3.15
Rot. Bonds9

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

triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane (PubChem CID 102470760) has the molecular formula C19H31NO5SSi and a molecular weight of 413.61 g/mol. Its IUPAC name is triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
PubChem CID102470760
Molecular FormulaC19H31NO5SSi
Molecular Weight413.61 g/mol
Exact Mass413.17
IUPAC Nametriethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
SMILESCCO[Si](/C=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC1C)(OCC)OCC
InChIInChI=1S/C19H31NO5SSi/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/h9-12,15,17H,6-8,13-14H2,1-5H3/b18-15-
InChIKeyHNWHBNHGDAGYRC-SDXDJHTJSA-N
XLogP3.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.15
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

(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102470768
triethoxy-[(E)-[4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
CID 101268462
(3Z)-3-(cyclopropylmethylidene)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134847900
(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine
CID 134949063
3-(2-ethoxypropan-2-yl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134866859
(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 135001201
(3Z)-3-benzylidene-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 177418020
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-one
CID 13015124
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
[(4E)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 11450753
(3Z)-3-benzylidene-1-(4-methylphenyl)sulfonyl-4-(2-methylprop-1-enyl)pyrrolidine
CID 54763073

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
The IUPAC name of triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane (CID 102470760) is triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane.
What is the SMILES notation for triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
The canonical SMILES for triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane is CCO[Si](/C=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC1C)(OCC)OCC.
What is the InChIKey of triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
The InChIKey is HNWHBNHGDAGYRC-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H31NO5SSi/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/h9-12,15,17H,6-8,13-14H2,1-5H3/b18-15-.
What are the key properties of triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane?
triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane has a molecular weight of 413.61 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(E)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane is sourced from PubChem (CID 102470760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).