5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide

C13H13N3O3S2 — CID 14327025

IUPAC5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(CNCc3ccccn3)sc2o1
InChIInChI=1S/C13H13N3O3S2/c14-21(17,18)12-6-9-5-11(20-13(9)19-12)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2,(H2,14,17,18)
InChIKeyZJNVFBLZPCRQOR-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.83
Rot. Bonds5

About 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide

5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide (PubChem CID 14327025) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide
PubChem CID14327025
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(CNCc3ccccn3)sc2o1
InChIInChI=1S/C13H13N3O3S2/c14-21(17,18)12-6-9-5-11(20-13(9)19-12)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2,(H2,14,17,18)
InChIKeyZJNVFBLZPCRQOR-UHFFFAOYSA-N
XLogP1.83
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide?
The IUPAC name of 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide (CID 14327025) is 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide.
What is the SMILES notation for 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide?
The canonical SMILES for 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide is NS(=O)(=O)c1cc2cc(CNCc3ccccn3)sc2o1.
What is the InChIKey of 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide?
The InChIKey is ZJNVFBLZPCRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c14-21(17,18)12-6-9-5-11(20-13(9)19-12)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2,(H2,14,17,18).
What are the key properties of 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide?
5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pyridin-2-ylmethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide is sourced from PubChem (CID 14327025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).