(2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile

C8H8N2S — CID 166491064

IUPAC(2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile
SMILESN#C[C@@H]1CC2CC=NC=C2S1
InChIInChI=1S/C8H8N2S/c9-4-7-3-6-1-2-10-5-8(6)11-7/h2,5-7H,1,3H2/t6?,7-/m0/s1
InChIKeyFBAPRXAMCCQVTH-MLWJPKLSSA-N
MW164.23 g/mol
LogP1.95
Rot. Bonds

About (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile

(2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile (PubChem CID 166491064) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile
PubChem CID166491064
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name(2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile
SMILESN#C[C@@H]1CC2CC=NC=C2S1
InChIInChI=1S/C8H8N2S/c9-4-7-3-6-1-2-10-5-8(6)11-7/h2,5-7H,1,3H2/t6?,7-/m0/s1
InChIKeyFBAPRXAMCCQVTH-MLWJPKLSSA-N
XLogP1.95
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile (CID 166491064) is (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile is N#C[C@@H]1CC2CC=NC=C2S1.
What is the InChIKey of (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile?
The InChIKey is FBAPRXAMCCQVTH-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H8N2S/c9-4-7-3-6-1-2-10-5-8(6)11-7/h2,5-7H,1,3H2/t6?,7-/m0/s1.
What are the key properties of (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile?
(2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile has a molecular weight of 164.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 166491064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).