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

C18H26N2O2S — CID 133140446

IUPAC(3aS,6S,7aS)-4-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cccs1)[C@H]1C[C@@H]2OCC[C@@H]2N(CC2CC2)C1
InChIInChI=1S/C18H26N2O2S/c21-18(19-7-5-15-2-1-9-23-15)14-10-17-16(6-8-22-17)20(12-14)11-13-3-4-13/h1-2,9,13-14,16-17H,3-8,10-12H2,(H,19,21)/t14-,16-,17-/m0/s1
InChIKeyMRODGAWJGFLROQ-XIRDDKMYSA-N
MW334.49 g/mol
LogP2.30
Rot. Bonds6

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

(3aS,6S,7aS)-4-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 133140446) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (3aS,6S,7aS)-4-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID133140446
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(3aS,6S,7aS)-4-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cccs1)[C@H]1C[C@@H]2OCC[C@@H]2N(CC2CC2)C1
InChIInChI=1S/C18H26N2O2S/c21-18(19-7-5-15-2-1-9-23-15)14-10-17-16(6-8-22-17)20(12-14)11-13-3-4-13/h1-2,9,13-14,16-17H,3-8,10-12H2,(H,19,21)/t14-,16-,17-/m0/s1
InChIKeyMRODGAWJGFLROQ-XIRDDKMYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3aS,6S,7aS)-4-(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 134689962
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365132
(3aS,6R,7aS)-4-(cyclopentylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124783284
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380448
(3aR,6S,7aR)-N-methyl-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155829634
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
(3R,4aR,8aS)-6-methyl-N-(2-thiophen-2-ylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366438
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
[(3aR,6S,7aR)-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380371
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
(3aR,6S,7aR)-N,4-bis(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380410

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-4-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 133140446) is (3aS,6S,7aS)-4-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(NCCc1cccs1)[C@H]1C[C@@H]2OCC[C@@H]2N(CC2CC2)C1.
What is the InChIKey of (3aS,6S,7aS)-4-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is MRODGAWJGFLROQ-XIRDDKMYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-18(19-7-5-15-2-1-9-23-15)14-10-17-16(6-8-22-17)20(12-14)11-13-3-4-13/h1-2,9,13-14,16-17H,3-8,10-12H2,(H,19,21)/t14-,16-,17-/m0/s1.
What are the key properties of (3aS,6S,7aS)-4-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-4-(cyclopropylmethyl)-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 334.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-4-(cyclopropylmethyl)-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 133140446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).