5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile

C9H9N3O4S — CID 136542493

IUPAC5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile
SMILESCN1CN(S(=O)(=O)c2ccc(C#N)o2)CC1=O
InChIInChI=1S/C9H9N3O4S/c1-11-6-12(5-8(11)13)17(14,15)9-3-2-7(4-10)16-9/h2-3H,5-6H2,1H3
InChIKeyKDECIXXKVRHHPT-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.43
Rot. Bonds2

About 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile

5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile (PubChem CID 136542493) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile
PubChem CID136542493
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile
SMILESCN1CN(S(=O)(=O)c2ccc(C#N)o2)CC1=O
InChIInChI=1S/C9H9N3O4S/c1-11-6-12(5-8(11)13)17(14,15)9-3-2-7(4-10)16-9/h2-3H,5-6H2,1H3
InChIKeyKDECIXXKVRHHPT-UHFFFAOYSA-N
XLogP-0.43
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile?
The IUPAC name of 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile (CID 136542493) is 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile.
What is the SMILES notation for 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile?
The canonical SMILES for 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile is CN1CN(S(=O)(=O)c2ccc(C#N)o2)CC1=O.
What is the InChIKey of 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile?
The InChIKey is KDECIXXKVRHHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c1-11-6-12(5-8(11)13)17(14,15)9-3-2-7(4-10)16-9/h2-3H,5-6H2,1H3.
What are the key properties of 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile?
5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile has a molecular weight of 255.25 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile is sourced from PubChem (CID 136542493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).