methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate

C11H15NO3S — CID 166663337

IUPACmethyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1N=S(C)(C)=O
InChIInChI=1S/C11H15NO3S/c1-15-11(13)8-9-6-4-5-7-10(9)12-16(2,3)14/h4-7H,8H2,1-3H3
InChIKeyXLUWYDPUAJQVRX-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.76
Rot. Bonds3

About methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate

methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate (PubChem CID 166663337) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate
PubChem CID166663337
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1N=S(C)(C)=O
InChIInChI=1S/C11H15NO3S/c1-15-11(13)8-9-6-4-5-7-10(9)12-16(2,3)14/h4-7H,8H2,1-3H3
InChIKeyXLUWYDPUAJQVRX-UHFFFAOYSA-N
XLogP1.76
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate (CID 166663337) is methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate is COC(=O)Cc1ccccc1N=S(C)(C)=O.
What is the InChIKey of methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate?
The InChIKey is XLUWYDPUAJQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-11(13)8-9-6-4-5-7-10(9)12-16(2,3)14/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate?
methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate has a molecular weight of 241.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate is sourced from PubChem (CID 166663337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).