methyl N-[(2-methylsulfanylphenyl)methyl]carbamate

C10H13NO2S — CID 110477809

IUPACmethyl N-[(2-methylsulfanylphenyl)methyl]carbamate
SMILESCOC(=O)NCc1ccccc1SC
InChIInChI=1S/C10H13NO2S/c1-13-10(12)11-7-8-5-3-4-6-9(8)14-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyWZCDUKRBNKNYCV-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.26
Rot. Bonds3

About methyl N-[(2-methylsulfanylphenyl)methyl]carbamate

methyl N-[(2-methylsulfanylphenyl)methyl]carbamate (PubChem CID 110477809) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl N-[(2-methylsulfanylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methylsulfanylphenyl)methyl]carbamate
PubChem CID110477809
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl N-[(2-methylsulfanylphenyl)methyl]carbamate
SMILESCOC(=O)NCc1ccccc1SC
InChIInChI=1S/C10H13NO2S/c1-13-10(12)11-7-8-5-3-4-6-9(8)14-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyWZCDUKRBNKNYCV-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576
2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
CID 110479161
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
CID 110482652
1-[[(2S)-2-aminobutanoyl]amino]-3-[(2-methylsulfanylphenyl)methyl]urea
CID 58917863
ethane;methane;N-methyl-1-(2-methylsulfanylphenyl)methanamine;propane;propan-2-one
CID 158849572
2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110476240
methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
methyl N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]carbamate
CID 110477808
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110466057
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methylsulfanylphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methylsulfanylphenyl)methyl]carbamate (CID 110477809) is methyl N-[(2-methylsulfanylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methylsulfanylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methylsulfanylphenyl)methyl]carbamate is COC(=O)NCc1ccccc1SC.
What is the InChIKey of methyl N-[(2-methylsulfanylphenyl)methyl]carbamate?
The InChIKey is WZCDUKRBNKNYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(12)11-7-8-5-3-4-6-9(8)14-2/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of methyl N-[(2-methylsulfanylphenyl)methyl]carbamate?
methyl N-[(2-methylsulfanylphenyl)methyl]carbamate has a molecular weight of 211.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methylsulfanylphenyl)methyl]carbamate is sourced from PubChem (CID 110477809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).