benzyl N-(4-methylphenyl)sulfanylcarbamate

C15H15NO2S — CID 176654610

IUPACbenzyl N-(4-methylphenyl)sulfanylcarbamate
SMILESCc1ccc(SNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19-16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyYEYVHMQYFZTBFV-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.93
Rot. Bonds4

About benzyl N-(4-methylphenyl)sulfanylcarbamate

benzyl N-(4-methylphenyl)sulfanylcarbamate (PubChem CID 176654610) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is benzyl N-(4-methylphenyl)sulfanylcarbamate.

Molecular Properties

Compound Namebenzyl N-(4-methylphenyl)sulfanylcarbamate
PubChem CID176654610
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Namebenzyl N-(4-methylphenyl)sulfanylcarbamate
SMILESCc1ccc(SNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19-16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyYEYVHMQYFZTBFV-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[(4-methylphenyl)sulfanylamino]acetate
CID 129047980
benzyl 2-(4-methylphenyl)sulfanylacetate
CID 162405759
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl carbonochloridate;toluene
CID 86663382
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl (4-methylphenyl) carbonate
CID 118690287
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methylphenyl)sulfanylcarbamate?
The IUPAC name of benzyl N-(4-methylphenyl)sulfanylcarbamate (CID 176654610) is benzyl N-(4-methylphenyl)sulfanylcarbamate.
What is the SMILES notation for benzyl N-(4-methylphenyl)sulfanylcarbamate?
The canonical SMILES for benzyl N-(4-methylphenyl)sulfanylcarbamate is Cc1ccc(SNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-methylphenyl)sulfanylcarbamate?
The InChIKey is YEYVHMQYFZTBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19-16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of benzyl N-(4-methylphenyl)sulfanylcarbamate?
benzyl N-(4-methylphenyl)sulfanylcarbamate has a molecular weight of 273.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methylphenyl)sulfanylcarbamate is sourced from PubChem (CID 176654610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).