N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide

C13H20FNOSSi — CID 87779567

IUPACN-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide
SMILESC[Si](C)(CCNC(=O)CCS)c1ccc(F)cc1
InChIInChI=1S/C13H20FNOSSi/c1-18(2,10-8-15-13(16)7-9-17)12-5-3-11(14)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,15,16)
InChIKeySFUPNYCLCFTTQT-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide

N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide (PubChem CID 87779567) has the molecular formula C13H20FNOSSi and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide
PubChem CID87779567
Molecular FormulaC13H20FNOSSi
Molecular Weight285.46 g/mol
Exact Mass285.10
IUPAC NameN-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide
SMILESC[Si](C)(CCNC(=O)CCS)c1ccc(F)cc1
InChIInChI=1S/C13H20FNOSSi/c1-18(2,10-8-15-13(16)7-9-17)12-5-3-11(14)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,15,16)
InChIKeySFUPNYCLCFTTQT-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.18
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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Related Compounds

phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate
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N-ethyl-3-(4-fluoroanilino)propanamide
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4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
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3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide (CID 87779567) is N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide is C[Si](C)(CCNC(=O)CCS)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide?
The InChIKey is SFUPNYCLCFTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOSSi/c1-18(2,10-8-15-13(16)7-9-17)12-5-3-11(14)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide?
N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide has a molecular weight of 285.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)-dimethylsilyl]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 87779567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).