(2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile

C10H15NOSSi — CID 11557646

IUPAC(2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1cccs1
InChIInChI=1S/C10H15NOSSi/c1-10(8-11,12-14(2,3)4)9-6-5-7-13-9/h5-7H,1-4H3/t10-/m0/s1
InChIKeyIOQWAMBCKIRVOO-JTQLQIEISA-N
MW225.39 g/mol
LogP3.34
Rot. Bonds3

About (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile

(2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile (PubChem CID 11557646) has the molecular formula C10H15NOSSi and a molecular weight of 225.39 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile
PubChem CID11557646
Molecular FormulaC10H15NOSSi
Molecular Weight225.39 g/mol
Exact Mass225.06
IUPAC Name(2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1cccs1
InChIInChI=1S/C10H15NOSSi/c1-10(8-11,12-14(2,3)4)9-6-5-7-13-9/h5-7H,1-4H3/t10-/m0/s1
InChIKeyIOQWAMBCKIRVOO-JTQLQIEISA-N
XLogP3.34
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
trimethyl-(2-methyl-4-thiophen-2-ylbut-3-yn-2-yl)oxysilane
CID 146003769
2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-(1,1-dichloroethyl)thiophene
CID 12555703
2-tert-butylthiophene;methanamine
CID 143976463
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
3-methyl-2-thiophen-2-ylbut-3-en-2-ol
CID 79189785
2-(2-methoxy-3-methylbutan-2-yl)thiophene
CID 58481755
diphenyl(2-thiophen-2-ylpropan-2-yl)phosphane
CID 175478785
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile (CID 11557646) is (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile is C[C@@](C#N)(O[Si](C)(C)C)c1cccs1.
What is the InChIKey of (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile?
The InChIKey is IOQWAMBCKIRVOO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NOSSi/c1-10(8-11,12-14(2,3)4)9-6-5-7-13-9/h5-7H,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile?
(2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile has a molecular weight of 225.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 11557646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).