ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane

C9H13NO2S — CID 125424647

IUPACethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1ccccc1OC
InChIInChI=1S/C9H13NO2S/c1-3-13(10,11)9-7-5-4-6-8(9)12-2/h4-7,10H,3H2,1-2H3/t13-/m1/s1
InChIKeyLGTNKCFVHAAIBD-CYBMUJFWSA-N
MW199.28 g/mol
LogP2.12
Rot. Bonds3

About ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane

ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane (PubChem CID 125424647) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
PubChem CID125424647
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Nameethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1ccccc1OC
InChIInChI=1S/C9H13NO2S/c1-3-13(10,11)9-7-5-4-6-8(9)12-2/h4-7,10H,3H2,1-2H3/t13-/m1/s1
InChIKeyLGTNKCFVHAAIBD-CYBMUJFWSA-N
XLogP2.12
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-2-methoxybenzene
CID 12920561
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424894
2-(2-methoxyphenyl)sulfonylbutan-1-amine
CID 64698684
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
CID 13153174
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
1-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2-methoxybenzene
CID 64998330
2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
CID 115040041
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989

Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane?
The IUPAC name of ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane (CID 125424647) is ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane?
The canonical SMILES for ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane is [H]N=[S@@](=O)(CC)c1ccccc1OC.
What is the InChIKey of ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane?
The InChIKey is LGTNKCFVHAAIBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-13(10,11)9-7-5-4-6-8(9)12-2/h4-7,10H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane?
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane has a molecular weight of 199.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane is sourced from PubChem (CID 125424647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).