3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide

C12H13N3O3S2 — CID 114289098

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NC2CCS(=O)(=O)C2)sc2cnccc12
InChIInChI=1S/C12H13N3O3S2/c13-10-8-1-3-14-5-9(8)19-11(10)12(16)15-7-2-4-20(17,18)6-7/h1,3,5,7H,2,4,6,13H2,(H,15,16)
InChIKeyBFRXEODRSDYNNE-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.80
Rot. Bonds2

About 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289098) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289098
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NC2CCS(=O)(=O)C2)sc2cnccc12
InChIInChI=1S/C12H13N3O3S2/c13-10-8-1-3-14-5-9(8)19-11(10)12(16)15-7-2-4-20(17,18)6-7/h1,3,5,7H,2,4,6,13H2,(H,15,16)
InChIKeyBFRXEODRSDYNNE-UHFFFAOYSA-N
XLogP0.80
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,2-dimethylcyclopentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289417
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 7047579
3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289352
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617754
(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
CID 113269844
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide (CID 114289098) is 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide is Nc1c(C(=O)NC2CCS(=O)(=O)C2)sc2cnccc12.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is BFRXEODRSDYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c13-10-8-1-3-14-5-9(8)19-11(10)12(16)15-7-2-4-20(17,18)6-7/h1,3,5,7H,2,4,6,13H2,(H,15,16).
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).