1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine

C16H17NSSi — CID 86244269

IUPAC1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine
SMILESC[Si](C)(C)C#C/C(=N\c1ccsc1)c1ccccc1
InChIInChI=1S/C16H17NSSi/c1-19(2,3)12-10-16(14-7-5-4-6-8-14)17-15-9-11-18-13-15/h4-9,11,13H,1-3H3/b17-16+
InChIKeyKSOSATCYRSSNKZ-WUKNDPDISA-N
MW283.47 g/mol
LogP4.75
Rot. Bonds2

About 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine

1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine (PubChem CID 86244269) has the molecular formula C16H17NSSi and a molecular weight of 283.47 g/mol. Its IUPAC name is 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine.

Molecular Properties

Compound Name1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine
PubChem CID86244269
Molecular FormulaC16H17NSSi
Molecular Weight283.47 g/mol
Exact Mass283.09
IUPAC Name1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine
SMILESC[Si](C)(C)C#C/C(=N\c1ccsc1)c1ccccc1
InChIInChI=1S/C16H17NSSi/c1-19(2,3)12-10-16(14-7-5-4-6-8-14)17-15-9-11-18-13-15/h4-9,11,13H,1-3H3/b17-16+
InChIKeyKSOSATCYRSSNKZ-WUKNDPDISA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
CID 11501101
N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine
CID 175900520
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
trimethyl-[(E,3Z)-5-phenyl-3-[phenyl(trimethylsilyl)methylidene]pent-4-en-1-ynyl]silane
CID 135024062
N'-thiophen-3-ylpropanimidamide
CID 66353374
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
[3-(1,3-benzodithiol-2-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 101258763
2-trimethylsilylethynyl benzoate
CID 22376413
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
CID 12968057
[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
CID 14937077
[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 122401874

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine?
The IUPAC name of 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine (CID 86244269) is 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine.
What is the SMILES notation for 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine?
The canonical SMILES for 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine is C[Si](C)(C)C#C/C(=N\c1ccsc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine?
The InChIKey is KSOSATCYRSSNKZ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NSSi/c1-19(2,3)12-10-16(14-7-5-4-6-8-14)17-15-9-11-18-13-15/h4-9,11,13H,1-3H3/b17-16+.
What are the key properties of 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine?
1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine has a molecular weight of 283.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine is sourced from PubChem (CID 86244269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).