2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

C14H17N3S — CID 79671611

IUPAC2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CC3(CCC3)C2)sc2c1CCNC2
InChIInChI=1S/C14H17N3S/c15-6-11-10-2-5-16-7-12(10)18-13(11)17-8-14(9-17)3-1-4-14/h16H,1-5,7-9H2
InChIKeyJDOJMJCHUDPRFK-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.26
Rot. Bonds1

About 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 79671611) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID79671611
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CC3(CCC3)C2)sc2c1CCNC2
InChIInChI=1S/C14H17N3S/c15-6-11-10-2-5-16-7-12(10)18-13(11)17-8-14(9-17)3-1-4-14/h16H,1-5,7-9H2
InChIKeyJDOJMJCHUDPRFK-UHFFFAOYSA-N
XLogP2.26
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (CID 79671611) is 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N2CC3(CCC3)C2)sc2c1CCNC2.
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is JDOJMJCHUDPRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-6-11-10-2-5-16-7-12(10)18-13(11)17-8-14(9-17)3-1-4-14/h16H,1-5,7-9H2.
What are the key properties of 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 259.38 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 79671611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).