(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide

C13H15N3O2S — CID 104856163

IUPAC(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
SMILESN#Cc1c(NC(=O)[C@H]2CCCO2)sc2c1CCNC2
InChIInChI=1S/C13H15N3O2S/c14-6-9-8-3-4-15-7-11(8)19-13(9)16-12(17)10-2-1-5-18-10/h10,15H,1-5,7H2,(H,16,17)/t10-/m1/s1
InChIKeyVGSRXEILYKAECD-SNVBAGLBSA-N
MW277.35 g/mol
LogP1.38
Rot. Bonds2

About (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide

(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide (PubChem CID 104856163) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
PubChem CID104856163
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
SMILESN#Cc1c(NC(=O)[C@H]2CCCO2)sc2c1CCNC2
InChIInChI=1S/C13H15N3O2S/c14-6-9-8-3-4-15-7-11(8)19-13(9)16-12(17)10-2-1-5-18-10/h10,15H,1-5,7H2,(H,16,17)/t10-/m1/s1
InChIKeyVGSRXEILYKAECD-SNVBAGLBSA-N
XLogP1.38
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
CID 673629
(2R)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide
CID 903158
(2S)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxolane-2-carboxamide
CID 840031
1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-cyclobutylurea
CID 116658560
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide
CID 62047729
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627
5-bromo-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 43430842
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 43430849
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide (CID 104856163) is (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide is N#Cc1c(NC(=O)[C@H]2CCCO2)sc2c1CCNC2.
What is the InChIKey of (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide?
The InChIKey is VGSRXEILYKAECD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-6-9-8-3-4-15-7-11(8)19-13(9)16-12(17)10-2-1-5-18-10/h10,15H,1-5,7H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide?
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 104856163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).