2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate

C11H15NO3S — CID 146357329

IUPAC2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
SMILESCOCCOC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C11H15NO3S/c1-14-6-7-15-11(13)12-9-4-3-5-10(8-9)16-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKeyBFGNWFAAGQFHST-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.60
Rot. Bonds5

About 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate

2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate (PubChem CID 146357329) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
PubChem CID146357329
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
SMILESCOCCOC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C11H15NO3S/c1-14-6-7-15-11(13)12-9-4-3-5-10(8-9)16-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKeyBFGNWFAAGQFHST-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-[2-[2-[2-[(3-methylsulfanylphenyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pent-2-enoic acid
CID 91277018
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
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2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate
CID 47741134
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
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2-methoxyethyl N-(3,5-diaminophenyl)carbamate
CID 151276673

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate?
The IUPAC name of 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate (CID 146357329) is 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate is COCCOC(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate?
The InChIKey is BFGNWFAAGQFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-14-6-7-15-11(13)12-9-4-3-5-10(8-9)16-2/h3-5,8H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate?
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate has a molecular weight of 241.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate is sourced from PubChem (CID 146357329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).