N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide

C14H21N3O5S — CID 97411344

IUPACN-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
SMILESCc1oncc1C(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C14H21N3O5S/c1-9-11(6-15-22-9)14(18)17-7-10-4-3-5-21-13(10)12(8-17)16-23(2,19)20/h6,10,12-13,16H,3-5,7-8H2,1-2H3/t10-,12+,13-/m0/s1
InChIKeySUYDRUQSVOWNPG-UHTWSYAYSA-N
MW343.41 g/mol
LogP0.15
Rot. Bonds3

About N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide

N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide (PubChem CID 97411344) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
PubChem CID97411344
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
SMILESCc1oncc1C(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C14H21N3O5S/c1-9-11(6-15-22-9)14(18)17-7-10-4-3-5-21-13(10)12(8-17)16-23(2,19)20/h6,10,12-13,16H,3-5,7-8H2,1-2H3/t10-,12+,13-/m0/s1
InChIKeySUYDRUQSVOWNPG-UHTWSYAYSA-N
XLogP0.15
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide (CID 97411344) is N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide is Cc1oncc1C(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide?
The InChIKey is SUYDRUQSVOWNPG-UHTWSYAYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-9-11(6-15-22-9)14(18)17-7-10-4-3-5-21-13(10)12(8-17)16-23(2,19)20/h6,10,12-13,16H,3-5,7-8H2,1-2H3/t10-,12+,13-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide?
N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide is sourced from PubChem (CID 97411344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).