5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile

C9H10N2O4S — CID 136542497

IUPAC5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCO2)o1
InChIInChI=1S/C9H10N2O4S/c10-7-8-3-4-9(15-8)16(12,13)11-5-1-2-6-14-11/h3-4H,1-2,5-6H2
InChIKeyVEYBXCGKJNBOAR-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.87
Rot. Bonds2

About 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile

5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile (PubChem CID 136542497) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile
PubChem CID136542497
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCO2)o1
InChIInChI=1S/C9H10N2O4S/c10-7-8-3-4-9(15-8)16(12,13)11-5-1-2-6-14-11/h3-4H,1-2,5-6H2
InChIKeyVEYBXCGKJNBOAR-UHFFFAOYSA-N
XLogP0.87
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile?
The IUPAC name of 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile (CID 136542497) is 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile?
The canonical SMILES for 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCCCO2)o1.
What is the InChIKey of 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile?
The InChIKey is VEYBXCGKJNBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-7-8-3-4-9(15-8)16(12,13)11-5-1-2-6-14-11/h3-4H,1-2,5-6H2.
What are the key properties of 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile?
5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxazinan-2-ylsulfonyl)furan-2-carbonitrile is sourced from PubChem (CID 136542497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).