pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate

C15H16N2O2S — CID 54036716

IUPACpyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
SMILESCSc1ccc(N(C)C(=O)OCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-17(13-5-7-14(20-2)8-6-13)15(18)19-11-12-4-3-9-16-10-12/h3-10H,11H2,1-2H3
InChIKeyLJMGBBAILGDROQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.58
Rot. Bonds4

About pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate

pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate (PubChem CID 54036716) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
PubChem CID54036716
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Namepyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
SMILESCSc1ccc(N(C)C(=O)OCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-17(13-5-7-14(20-2)8-6-13)15(18)19-11-12-4-3-9-16-10-12/h3-10H,11H2,1-2H3
InChIKeyLJMGBBAILGDROQ-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-(2,6-dimethylphenyl)carbamate
CID 3750709
{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate
CID 3750712
{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-(2-methylphenyl)carbamate
CID 3750713
pyridin-3-ylmethyl N-[4-(benzenesulfonyl)phenyl]carbamate
CID 71734760
{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-propylcarbamate
CID 3750711
Carbamic acid, (4-(methylthio)phenyl)-, 3-pyridinylmethyl ester
CID 40069
{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-phenylcarbamate
CID 3748097
5-Methyl-6-phenylsulfanyl-1-(pyridin-3-ylmethoxymethyl)pyrimidine-2,4-dione
CID 44389039
(2-Methyl-3-pyridinyl)methyl 3-fluoropiperidine-1-carboxylate
CID 172434418
(2-Methyl-3-pyridinyl)methyl thiomorpholine-4-carboxylate
CID 172434436
Pyridin-3-ylmethyl N,N-dimethylcarbamate
CID 90804170
Pyridin-3-ylmethyl 4-(benzylsulfonyl)piperidine-1-carboxylate
CID 121022777

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
The IUPAC name of pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate (CID 54036716) is pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate is CSc1ccc(N(C)C(=O)OCc2cccnc2)cc1.
What is the InChIKey of pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
The InChIKey is LJMGBBAILGDROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17(13-5-7-14(20-2)8-6-13)15(18)19-11-12-4-3-9-16-10-12/h3-10H,11H2,1-2H3.
What are the key properties of pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate has a molecular weight of 288.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate is sourced from PubChem (CID 54036716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).