(3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C15H23NO2S — CID 124912417

IUPAC(3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCOC[C@]12CCO[C@H]1CCN(Cc1sccc1C)C2
InChIInChI=1S/C15H23NO2S/c1-12-4-8-19-13(12)9-16-6-3-14-15(10-16,11-17-2)5-7-18-14/h4,8,14H,3,5-7,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyHSOIYSIZFLLJNV-LSDHHAIUSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds4

About (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 124912417) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID124912417
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCOC[C@]12CCO[C@H]1CCN(Cc1sccc1C)C2
InChIInChI=1S/C15H23NO2S/c1-12-4-8-19-13(12)9-16-6-3-14-15(10-16,11-17-2)5-7-18-14/h4,8,14H,3,5-7,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyHSOIYSIZFLLJNV-LSDHHAIUSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131647084
3-[2-[(3aS,7aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 155845702
(4aR,8aS)-6-(furan-2-ylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97379448
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
4a-(methoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131646148
[(3aR,7aS)-3a-(methoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3,4-dimethylphenyl)methanone
CID 124788797
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487027
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124519736
(4aS,8aS)-4a-(cyclopropylmethoxymethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810685
[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 115882917
2-[[(3aS,7aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97422571
4a-(ethoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131640960

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 124912417) is (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is COC[C@]12CCO[C@H]1CCN(Cc1sccc1C)C2.
What is the InChIKey of (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is HSOIYSIZFLLJNV-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-4-8-19-13(12)9-16-6-3-14-15(10-16,11-17-2)5-7-18-14/h4,8,14H,3,5-7,9-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 281.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-3a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 124912417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).