(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C14H20N2O2S — CID 124803392

IUPAC(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCNC(=O)[C@]12CCO[C@H]1CCN(Cc1ccsc1)C2
InChIInChI=1S/C14H20N2O2S/c1-15-13(17)14-4-6-18-12(14)2-5-16(10-14)8-11-3-7-19-9-11/h3,7,9,12H,2,4-6,8,10H2,1H3,(H,15,17)/t12-,14-/m0/s1
InChIKeyRJBWXPMTCZCOCS-JSGCOSHPSA-N
MW280.39 g/mol
LogP1.48
Rot. Bonds3

About (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 124803392) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID124803392
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCNC(=O)[C@]12CCO[C@H]1CCN(Cc1ccsc1)C2
InChIInChI=1S/C14H20N2O2S/c1-15-13(17)14-4-6-18-12(14)2-5-16(10-14)8-11-3-7-19-9-11/h3,7,9,12H,2,4-6,8,10H2,1H3,(H,15,17)/t12-,14-/m0/s1
InChIKeyRJBWXPMTCZCOCS-JSGCOSHPSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

(3aR,7aR)-N-(cyclopropylmethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362695
(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362713
(3aR,7aR)-N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387279
(3aS,7aR)-3a-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155842967
4a-(pyridin-4-ylmethoxymethyl)-6-(thiophen-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131651583
1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372386
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
4a-(cyclopropylmethoxymethyl)-6-(thiophen-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155850027
(3aR,7aR)-5-(1,3-benzodioxol-5-ylmethyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 127021607
1,1-dimethyl-3-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97483726
(4aR,8aS)-4a-(prop-2-enoxymethyl)-6-(thiophen-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97379622
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 124803392) is (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CNC(=O)[C@]12CCO[C@H]1CCN(Cc1ccsc1)C2.
What is the InChIKey of (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is RJBWXPMTCZCOCS-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-13(17)14-4-6-18-12(14)2-5-16(10-14)8-11-3-7-19-9-11/h3,7,9,12H,2,4-6,8,10H2,1H3,(H,15,17)/t12-,14-/m0/s1.
What are the key properties of (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 124803392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).