5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide

C7H7NO4S — CID 167089620

IUPAC5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide
SMILESCS(=O)Cc1ccc(C(=O)N=O)o1
InChIInChI=1S/C7H7NO4S/c1-13(11)4-5-2-3-6(12-5)7(9)8-10/h2-3H,4H2,1H3
InChIKeyGGLPRCOQTJVUCV-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.06
Rot. Bonds3

About 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide

5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide (PubChem CID 167089620) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide
PubChem CID167089620
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide
SMILESCS(=O)Cc1ccc(C(=O)N=O)o1
InChIInChI=1S/C7H7NO4S/c1-13(11)4-5-2-3-6(12-5)7(9)8-10/h2-3H,4H2,1H3
InChIKeyGGLPRCOQTJVUCV-UHFFFAOYSA-N
XLogP1.06
TPSA76.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide
CID 167085907
5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768
5-(ethylsulfinylmethyl)furan-2-carboxamide
CID 175437195
5-[(3,5-dimethylphenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 53212367
5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide
CID 88591940
5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 46371008
5-[[(S)-(2-chlorophenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 92730218
5-[(4-bromophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123106052
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
5-[(2,4-dimethylphenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 61304332
5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid
CID 123122626
methyl 5-[(3-methylsulfinylpropylamino)methyl]furan-2-carboxylate
CID 115907598

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide?
The IUPAC name of 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide (CID 167089620) is 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide.
What is the SMILES notation for 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide?
The canonical SMILES for 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide is CS(=O)Cc1ccc(C(=O)N=O)o1.
What is the InChIKey of 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide?
The InChIKey is GGLPRCOQTJVUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c1-13(11)4-5-2-3-6(12-5)7(9)8-10/h2-3H,4H2,1H3.
What are the key properties of 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide?
5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide has a molecular weight of 201.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfinylmethyl)-N-oxofuran-2-carboxamide is sourced from PubChem (CID 167089620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).