2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide

C15H28N2O5S — CID 98816431

IUPAC2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC(=O)N(C)C)C1
InChIInChI=1S/C15H28N2O5S/c1-4-23(19,20)17-8-6-13-15(11-17,7-5-9-22-13)12-21-10-14(18)16(2)3/h13H,4-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyKPZBXBIJBXFZET-HIFRSBDPSA-N
MW348.47 g/mol
LogP0.31
Rot. Bonds6

About 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide

2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 98816431) has the molecular formula C15H28N2O5S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
PubChem CID98816431
Molecular FormulaC15H28N2O5S
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC Name2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC(=O)N(C)C)C1
InChIInChI=1S/C15H28N2O5S/c1-4-23(19,20)17-8-6-13-15(11-17,7-5-9-22-13)12-21-10-14(18)16(2)3/h13H,4-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyKPZBXBIJBXFZET-HIFRSBDPSA-N
XLogP0.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

(4aR,8aR)-4a-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 97379718
2-[[(4aR,8aR)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379706
(4aR,8aR)-4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 97363447
(4aR,8aS)-4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 97363449
2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97387454
4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 131640228
2-[[(4aR,8aS)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363771
2-[[(4aS,8aR)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 98810648
2-[[(4aS,8aS)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363769
2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379683
2-[[6-(furan-2-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 131650789
2-[[(4aS,8aR)-6-(furan-2-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379697

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide (CID 98816431) is 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide is CCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC(=O)N(C)C)C1.
What is the InChIKey of 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is KPZBXBIJBXFZET-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H28N2O5S/c1-4-23(19,20)17-8-6-13-15(11-17,7-5-9-22-13)12-21-10-14(18)16(2)3/h13H,4-12H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 348.47 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 98816431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).