1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide

C12H17N3O3S — CID 75500092

IUPAC1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccc(C#N)o2)C1
InChIInChI=1S/C12H17N3O3S/c1-2-14-19(16,17)12-5-6-15(9-12)8-11-4-3-10(7-13)18-11/h3-4,12,14H,2,5-6,8-9H2,1H3
InChIKeyAKGDIINNNCTPJP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.66
Rot. Bonds5

About 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide

1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide (PubChem CID 75500092) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
PubChem CID75500092
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccc(C#N)o2)C1
InChIInChI=1S/C12H17N3O3S/c1-2-14-19(16,17)12-5-6-15(9-12)8-11-4-3-10(7-13)18-11/h3-4,12,14H,2,5-6,8-9H2,1H3
InChIKeyAKGDIINNNCTPJP-UHFFFAOYSA-N
XLogP0.66
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide (CID 75500092) is 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(Cc2ccc(C#N)o2)C1.
What is the InChIKey of 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
The InChIKey is AKGDIINNNCTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-14-19(16,17)12-5-6-15(9-12)8-11-4-3-10(7-13)18-11/h3-4,12,14H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 75500092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).