phenylsulfanylmethyl N-benzylcarbamate

C15H15NO2S — CID 562288

IUPACphenylsulfanylmethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCSc1ccccc1
InChIInChI=1S/C15H15NO2S/c17-15(16-11-13-7-3-1-4-8-13)18-12-19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyOORUUSARKNFEQP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.66
Rot. Bonds5

About phenylsulfanylmethyl N-benzylcarbamate

phenylsulfanylmethyl N-benzylcarbamate (PubChem CID 562288) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is phenylsulfanylmethyl N-benzylcarbamate.

Molecular Properties

Compound Namephenylsulfanylmethyl N-benzylcarbamate
PubChem CID562288
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Namephenylsulfanylmethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCSc1ccccc1
InChIInChI=1S/C15H15NO2S/c17-15(16-11-13-7-3-1-4-8-13)18-12-19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyOORUUSARKNFEQP-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(phenylthio)acetamide
CID 846429
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 894919
N-benzyl-2-(4-fluorophenyl)sulfanylacetamide
CID 893250
S-phenyl N-benzylcarbamothioate
CID 307941
N-[(4-fluoro-2-methylsulfanylphenyl)methyl]formamide
CID 21947448
N-t-Butoxycarbonyl-(4-fluoro-2-(methylthio)phenyl)methanamine
CID 58962309
(2-Fluoro-4-methylsulfanyl-benzyl)-carbamic acid tert-butyl ester
CID 86711630
S-(4-fluorophenyl) N-benzylcarbamothioate
CID 118526388
methyl N-[[3-methylsulfanyl-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 141124335
S-(4-methylphenyl) N-benzylcarbamothioate
CID 12510661
S-[(1S)-1-phenylprop-2-enyl] N-benzylcarbamothioate
CID 46853992
methyl N-methyl-N-[phenyl(phenylsulfanyl)methyl]carbamate
CID 85737186

Frequently Asked Questions

What is the IUPAC name of phenylsulfanylmethyl N-benzylcarbamate?
The IUPAC name of phenylsulfanylmethyl N-benzylcarbamate (CID 562288) is phenylsulfanylmethyl N-benzylcarbamate.
What is the SMILES notation for phenylsulfanylmethyl N-benzylcarbamate?
The canonical SMILES for phenylsulfanylmethyl N-benzylcarbamate is O=C(NCc1ccccc1)OCSc1ccccc1.
What is the InChIKey of phenylsulfanylmethyl N-benzylcarbamate?
The InChIKey is OORUUSARKNFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(16-11-13-7-3-1-4-8-13)18-12-19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of phenylsulfanylmethyl N-benzylcarbamate?
phenylsulfanylmethyl N-benzylcarbamate has a molecular weight of 273.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylmethyl N-benzylcarbamate is sourced from PubChem (CID 562288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).