N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide

C17H26N2O3S — CID 97364540

IUPACN-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C17H26N2O3S/c1-2-23(20,21)18-16-13-19(11-14-7-4-3-5-8-14)12-15-9-6-10-22-17(15)16/h3-5,7-8,15-18H,2,6,9-13H2,1H3/t15-,16+,17-/m0/s1
InChIKeyDUXOPJLPKYUVGC-BBWFWOEESA-N
MW338.47 g/mol
LogP1.61
Rot. Bonds5

About N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide

N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide (PubChem CID 97364540) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
PubChem CID97364540
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C17H26N2O3S/c1-2-23(20,21)18-16-13-19(11-14-7-4-3-5-8-14)12-15-9-6-10-22-17(15)16/h3-5,7-8,15-18H,2,6,9-13H2,1H3/t15-,16+,17-/m0/s1
InChIKeyDUXOPJLPKYUVGC-BBWFWOEESA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide with MolForge

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Related Compounds

N-[(4aS,8R,8aS)-6-benzoyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
CID 97387574
(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 98810910
(4aS,8R,8aS)-6-(furan-3-ylmethyl)-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 155845195
(3aR,6aR)-2-benzyl-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129355444
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl) methanesulfonate
CID 87063934
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
2-benzyl-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;dihydrochloride
CID 126845066
N-[(3S,4S)-1-benzyl-3-[[4-(difluoromethoxy)phenoxy]methyl]piperidin-4-yl]ethanesulfonamide
CID 70818310
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide (CID 97364540) is N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21.
What is the InChIKey of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide?
The InChIKey is DUXOPJLPKYUVGC-BBWFWOEESA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-23(20,21)18-16-13-19(11-14-7-4-3-5-8-14)12-15-9-6-10-22-17(15)16/h3-5,7-8,15-18H,2,6,9-13H2,1H3/t15-,16+,17-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide?
N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide is sourced from PubChem (CID 97364540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).