(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C17H24N2O2S — CID 97380937

IUPAC(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1
InChIInChI=1S/C17H24N2O2S/c20-17(18-13-3-1-4-13)15-9-12-6-7-19(11-16(12)21-15)10-14-5-2-8-22-14/h2,5,8,12-13,15-16H,1,3-4,6-7,9-11H2,(H,18,20)/t12-,15-,16-/m0/s1
InChIKeyUQQSSFARCSIFQX-RCBQFDQVSA-N
MW320.46 g/mol
LogP2.40
Rot. Bonds4

About (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97380937) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97380937
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1
InChIInChI=1S/C17H24N2O2S/c20-17(18-13-3-1-4-13)15-9-12-6-7-19(11-16(12)21-15)10-14-5-2-8-22-14/h2,5,8,12-13,15-16H,1,3-4,6-7,9-11H2,(H,18,20)/t12-,15-,16-/m0/s1
InChIKeyUQQSSFARCSIFQX-RCBQFDQVSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97380937) is (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1.
What is the InChIKey of (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UQQSSFARCSIFQX-RCBQFDQVSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-17(18-13-3-1-4-13)15-9-12-6-7-19(11-16(12)21-15)10-14-5-2-8-22-14/h2,5,8,12-13,15-16H,1,3-4,6-7,9-11H2,(H,18,20)/t12-,15-,16-/m0/s1.
What are the key properties of (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97380937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).