ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate

C11H15NO3S — CID 143002965

IUPACethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate
SMILESCCOC(=O)CN(C)c1ccc(SO)cc1
InChIInChI=1S/C11H15NO3S/c1-3-15-11(13)8-12(2)9-4-6-10(16-14)7-5-9/h4-7,14H,3,8H2,1-2H3
InChIKeyINUCXQMNTPDZEU-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.25
Rot. Bonds5

About ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate

ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate (PubChem CID 143002965) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate
PubChem CID143002965
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Nameethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate
SMILESCCOC(=O)CN(C)c1ccc(SO)cc1
InChIInChI=1S/C11H15NO3S/c1-3-15-11(13)8-12(2)9-4-6-10(16-14)7-5-9/h4-7,14H,3,8H2,1-2H3
InChIKeyINUCXQMNTPDZEU-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115257264
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
ethyl 3-(N-methyl-4-methylsulfanylanilino)-3-oxopropanoate
CID 115138514
ethyl 2-[methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)amino]acetate
CID 115257335
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62005214
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
ethyl 2-[4-[2-[4-(6-hydroxyhexylsulfonyl)phenyl]ethenyl]-N-methylanilino]acetate
CID 54113536
ethyl 2-[4-[(E)-2-[4-(6-hydroxyhexylsulfonyl)phenyl]ethenyl]-N-methylanilino]acetate
CID 19020040
ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate (CID 143002965) is ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate is CCOC(=O)CN(C)c1ccc(SO)cc1.
What is the InChIKey of ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate?
The InChIKey is INUCXQMNTPDZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-15-11(13)8-12(2)9-4-6-10(16-14)7-5-9/h4-7,14H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate?
ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate has a molecular weight of 241.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate is sourced from PubChem (CID 143002965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).