2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane

C10H15NO2S — CID 10560548

IUPAC2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane
SMILESCOCCN=S(C)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-13-9-8-11-14(2,12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyBJJVQRLSJDRUPQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.79
Rot. Bonds4

About 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane

2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane (PubChem CID 10560548) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane.

Molecular Properties

Compound Name2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane
PubChem CID10560548
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane
SMILESCOCCN=S(C)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-13-9-8-11-14(2,12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyBJJVQRLSJDRUPQ-UHFFFAOYSA-N
XLogP1.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane
CID 25038835
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
(N-amino-S-methylsulfonimidoyl)benzene
CID 129116146
methyl-oxo-pent-2-ynylimino-phenyl-λ6-sulfane
CID 102125898
trimethyl-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]silane
CID 25041125
N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
CID 12033157
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066106
methylimino-[5-(N-methyl-S-phenylsulfonimidoyl)oxypentoxy]-oxo-phenyl-λ6-sulfane
CID 98534556
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane?
The IUPAC name of 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane (CID 10560548) is 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane.
What is the SMILES notation for 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane?
The canonical SMILES for 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane is COCCN=S(C)(=O)c1ccccc1.
What is the InChIKey of 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane?
The InChIKey is BJJVQRLSJDRUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-13-9-8-11-14(2,12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane?
2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane has a molecular weight of 213.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane is sourced from PubChem (CID 10560548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).