3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide

C11H14N4O3S2 — CID 114289295

IUPAC3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCCS(N)(=O)=O)sc2cnccc12
InChIInChI=1S/C11H14N4O3S2/c12-9-7-2-4-14-6-8(7)19-10(9)11(16)15-3-1-5-20(13,17)18/h2,4,6H,1,3,5,12H2,(H,15,16)(H2,13,17,18)
InChIKeyYZEFZXXVZVJHPS-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.29
Rot. Bonds5

About 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289295) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289295
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCCS(N)(=O)=O)sc2cnccc12
InChIInChI=1S/C11H14N4O3S2/c12-9-7-2-4-14-6-8(7)19-10(9)11(16)15-3-1-5-20(13,17)18/h2,4,6H,1,3,5,12H2,(H,15,16)(H2,13,17,18)
InChIKeyYZEFZXXVZVJHPS-UHFFFAOYSA-N
XLogP0.29
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106433595
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106898056

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide (CID 114289295) is 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide is Nc1c(C(=O)NCCCS(N)(=O)=O)sc2cnccc12.
What is the InChIKey of 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YZEFZXXVZVJHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c12-9-7-2-4-14-6-8(7)19-10(9)11(16)15-3-1-5-20(13,17)18/h2,4,6H,1,3,5,12H2,(H,15,16)(H2,13,17,18).
What are the key properties of 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).