(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C16H24N2O2S — CID 134689348

IUPAC(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C16H24N2O2S/c1-2-18-11-12(10-15-14(18)6-8-20-15)16(19)17-7-5-13-4-3-9-21-13/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3,(H,17,19)/t12-,14-,15-/m0/s1
InChIKeyIGDQHYFRPTZAOC-QEJZJMRPSA-N
MW308.45 g/mol
LogP1.91
Rot. Bonds5

About (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 134689348) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID134689348
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C16H24N2O2S/c1-2-18-11-12(10-15-14(18)6-8-20-15)16(19)17-7-5-13-4-3-9-21-13/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3,(H,17,19)/t12-,14-,15-/m0/s1
InChIKeyIGDQHYFRPTZAOC-QEJZJMRPSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide 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 (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 134689348) is (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CCN1C[C@@H](C(=O)NCCc2cccs2)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is IGDQHYFRPTZAOC-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18-11-12(10-15-14(18)6-8-20-15)16(19)17-7-5-13-4-3-9-21-13/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3,(H,17,19)/t12-,14-,15-/m0/s1.
What are the key properties of (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-4-ethyl-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 134689348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).