N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide

C13H17N3O3S2 — CID 62047729

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide
SMILESN#Cc1c(NS(=O)(=O)C2CCOCC2)sc2c1CCNC2
InChIInChI=1S/C13H17N3O3S2/c14-7-11-10-1-4-15-8-12(10)20-13(11)16-21(17,18)9-2-5-19-6-3-9/h9,15-16H,1-6,8H2
InChIKeyAEGAKBPLKNXCNL-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.19
Rot. Bonds3

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide (PubChem CID 62047729) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide
PubChem CID62047729
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide
SMILESN#Cc1c(NS(=O)(=O)C2CCOCC2)sc2c1CCNC2
InChIInChI=1S/C13H17N3O3S2/c14-7-11-10-1-4-15-8-12(10)20-13(11)16-21(17,18)9-2-5-19-6-3-9/h9,15-16H,1-6,8H2
InChIKeyAEGAKBPLKNXCNL-UHFFFAOYSA-N
XLogP1.19
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 115609043
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide
CID 64987841
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
CID 104856163
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803
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)-2-methylsulfonylpropanamide
CID 104520627
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
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
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide (CID 62047729) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide is N#Cc1c(NS(=O)(=O)C2CCOCC2)sc2c1CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide?
The InChIKey is AEGAKBPLKNXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c14-7-11-10-1-4-15-8-12(10)20-13(11)16-21(17,18)9-2-5-19-6-3-9/h9,15-16H,1-6,8H2.
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide is sourced from PubChem (CID 62047729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).