5-(ethylsulfinylmethyl)furan-2-carboxamide

C8H11NO3S — CID 175437195

IUPAC5-(ethylsulfinylmethyl)furan-2-carboxamide
SMILESCCS(=O)Cc1ccc(C(N)=O)o1
InChIInChI=1S/C8H11NO3S/c1-2-13(11)5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H2,9,10)
InChIKeyMSEUUDFSTQAREN-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.65
Rot. Bonds4

About 5-(ethylsulfinylmethyl)furan-2-carboxamide

5-(ethylsulfinylmethyl)furan-2-carboxamide (PubChem CID 175437195) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-(ethylsulfinylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(ethylsulfinylmethyl)furan-2-carboxamide
PubChem CID175437195
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name5-(ethylsulfinylmethyl)furan-2-carboxamide
SMILESCCS(=O)Cc1ccc(C(N)=O)o1
InChIInChI=1S/C8H11NO3S/c1-2-13(11)5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H2,9,10)
InChIKeyMSEUUDFSTQAREN-UHFFFAOYSA-N
XLogP0.65
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfinylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(ethylsulfinylmethyl)furan-2-carboxamide (CID 175437195) is 5-(ethylsulfinylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(ethylsulfinylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(ethylsulfinylmethyl)furan-2-carboxamide is CCS(=O)Cc1ccc(C(N)=O)o1.
What is the InChIKey of 5-(ethylsulfinylmethyl)furan-2-carboxamide?
The InChIKey is MSEUUDFSTQAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-2-13(11)5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H2,9,10).
What are the key properties of 5-(ethylsulfinylmethyl)furan-2-carboxamide?
5-(ethylsulfinylmethyl)furan-2-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfinylmethyl)furan-2-carboxamide is sourced from PubChem (CID 175437195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).