N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide

C12H18FNOSSi — CID 87778413

IUPACN-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide
SMILESC[Si](C)(CNC(=O)CCS)c1ccc(F)cc1
InChIInChI=1S/C12H18FNOSSi/c1-17(2,9-14-12(15)7-8-16)11-5-3-10(13)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,14,15)
InChIKeySXSOGTBPWISISC-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.72
Rot. Bonds5

About N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide

N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide (PubChem CID 87778413) has the molecular formula C12H18FNOSSi and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide
PubChem CID87778413
Molecular FormulaC12H18FNOSSi
Molecular Weight271.43 g/mol
Exact Mass271.09
IUPAC NameN-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide
SMILESC[Si](C)(CNC(=O)CCS)c1ccc(F)cc1
InChIInChI=1S/C12H18FNOSSi/c1-17(2,9-14-12(15)7-8-16)11-5-3-10(13)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,14,15)
InChIKeySXSOGTBPWISISC-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide?
The IUPAC name of N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide (CID 87778413) is N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide is C[Si](C)(CNC(=O)CCS)c1ccc(F)cc1.
What is the InChIKey of N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide?
The InChIKey is SXSOGTBPWISISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOSSi/c1-17(2,9-14-12(15)7-8-16)11-5-3-10(13)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide?
N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide has a molecular weight of 271.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 87778413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).