(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C16H20N2O3S — CID 134690061

IUPAC(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@@H]2OCC[C@@H]2N(C(=O)c2cccs2)C1
InChIInChI=1S/C16H20N2O3S/c19-15(17-11-3-4-11)10-8-13-12(5-6-21-13)18(9-10)16(20)14-2-1-7-22-14/h1-2,7,10-13H,3-6,8-9H2,(H,17,19)/t10-,12-,13-/m0/s1
InChIKeyRFBPGXYBWMBODJ-DRZSPHRISA-N
MW320.41 g/mol
LogP1.65
Rot. Bonds3

About (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 134690061) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID134690061
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@@H]2OCC[C@@H]2N(C(=O)c2cccs2)C1
InChIInChI=1S/C16H20N2O3S/c19-15(17-11-3-4-11)10-8-13-12(5-6-21-13)18(9-10)16(20)14-2-1-7-22-14/h1-2,7,10-13H,3-6,8-9H2,(H,17,19)/t10-,12-,13-/m0/s1
InChIKeyRFBPGXYBWMBODJ-DRZSPHRISA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 134690061) is (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(NC1CC1)[C@H]1C[C@@H]2OCC[C@@H]2N(C(=O)c2cccs2)C1.
What is the InChIKey of (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is RFBPGXYBWMBODJ-DRZSPHRISA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-15(17-11-3-4-11)10-8-13-12(5-6-21-13)18(9-10)16(20)14-2-1-7-22-14/h1-2,7,10-13H,3-6,8-9H2,(H,17,19)/t10-,12-,13-/m0/s1.
What are the key properties of (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-N-cyclopropyl-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 134690061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).