[2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate

C13H15NO7S — CID 90081313

IUPAC[2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)c1oc(-c2ccco2)c(O)c1OC(C)=O
InChIInChI=1S/C13H15NO7S/c1-4-22(17,18)14(3)13-12(20-8(2)15)10(16)11(21-13)9-6-5-7-19-9/h5-7,16H,4H2,1-3H3
InChIKeyMCQYERIEKTUFDB-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.96
Rot. Bonds5

About [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate

[2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081313) has the molecular formula C13H15NO7S and a molecular weight of 329.33 g/mol. Its IUPAC name is [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081313
Molecular FormulaC13H15NO7S
Molecular Weight329.33 g/mol
Exact Mass329.06
IUPAC Name[2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)c1oc(-c2ccco2)c(O)c1OC(C)=O
InChIInChI=1S/C13H15NO7S/c1-4-22(17,18)14(3)13-12(20-8(2)15)10(16)11(21-13)9-6-5-7-19-9/h5-7,16H,4H2,1-3H3
InChIKeyMCQYERIEKTUFDB-UHFFFAOYSA-N
XLogP1.96
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90081313) is [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is CCS(=O)(=O)N(C)c1oc(-c2ccco2)c(O)c1OC(C)=O.
What is the InChIKey of [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is MCQYERIEKTUFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO7S/c1-4-22(17,18)14(3)13-12(20-8(2)15)10(16)11(21-13)9-6-5-7-19-9/h5-7,16H,4H2,1-3H3.
What are the key properties of [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
[2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 329.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethylsulfonyl(methyl)amino]-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).