[(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

C18H26N2O3S — CID 124814945

IUPAC[(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1ccc(CN2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)s1
InChIInChI=1S/C18H26N2O3S/c1-13-3-4-14(24-13)11-19-8-5-17-16(12-19)15(6-10-22-17)18(21)20-7-2-9-23-20/h3-4,15-17H,2,5-12H2,1H3/t15-,16+,17-/m0/s1
InChIKeyMSSOOEMBQIXROV-BBWFWOEESA-N
MW350.48 g/mol
LogP2.45
Rot. Bonds3

About [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

[(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 124814945) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID124814945
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1ccc(CN2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)s1
InChIInChI=1S/C18H26N2O3S/c1-13-3-4-14(24-13)11-19-8-5-17-16(12-19)15(6-10-22-17)18(21)20-7-2-9-23-20/h3-4,15-17H,2,5-12H2,1H3/t15-,16+,17-/m0/s1
InChIKeyMSSOOEMBQIXROV-BBWFWOEESA-N
XLogP2.45
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 124814945) is [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is Cc1ccc(CN2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)s1.
What is the InChIKey of [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is MSSOOEMBQIXROV-BBWFWOEESA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13-3-4-14(24-13)11-19-8-5-17-16(12-19)15(6-10-22-17)18(21)20-7-2-9-23-20/h3-4,15-17H,2,5-12H2,1H3/t15-,16+,17-/m0/s1.
What are the key properties of [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 124814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).