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

C16H22N2O2S — CID 134690047

IUPAC(3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-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(Cc2cccs2)C1
InChIInChI=1S/C16H22N2O2S/c19-16(17-12-3-4-12)11-8-15-14(5-6-20-15)18(9-11)10-13-2-1-7-21-13/h1-2,7,11-12,14-15H,3-6,8-10H2,(H,17,19)/t11-,14-,15-/m0/s1
InChIKeySAZUWVJRWRERAJ-CQDKDKBSSA-N
MW306.43 g/mol
LogP2.01
Rot. Bonds4

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

(3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 134690047) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID134690047
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-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(Cc2cccs2)C1
InChIInChI=1S/C16H22N2O2S/c19-16(17-12-3-4-12)11-8-15-14(5-6-20-15)18(9-11)10-13-2-1-7-21-13/h1-2,7,11-12,14-15H,3-6,8-10H2,(H,17,19)/t11-,14-,15-/m0/s1
InChIKeySAZUWVJRWRERAJ-CQDKDKBSSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 134690047) is (3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-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(Cc2cccs2)C1.
What is the InChIKey of (3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is SAZUWVJRWRERAJ-CQDKDKBSSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-16(17-12-3-4-12)11-8-15-14(5-6-20-15)18(9-11)10-13-2-1-7-21-13/h1-2,7,11-12,14-15H,3-6,8-10H2,(H,17,19)/t11-,14-,15-/m0/s1.
What are the key properties of (3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-N-cyclopropyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.01, 4 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-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 134690047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).