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

C15H24N2O3S2 — CID 97379834

IUPACN-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C15H24N2O3S2/c1-2-22(18,19)16-14-11-17(10-13-6-4-8-21-13)9-12-5-3-7-20-15(12)14/h4,6,8,12,14-16H,2-3,5,7,9-11H2,1H3/t12-,14+,15-/m0/s1
InChIKeyLHFPNEMSAUPDNQ-CFVMTHIKSA-N
MW344.50 g/mol
LogP1.67
Rot. Bonds5

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

N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide (PubChem CID 97379834) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
PubChem CID97379834
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C15H24N2O3S2/c1-2-22(18,19)16-14-11-17(10-13-6-4-8-21-13)9-12-5-3-7-20-15(12)14/h4,6,8,12,14-16H,2-3,5,7,9-11H2,1H3/t12-,14+,15-/m0/s1
InChIKeyLHFPNEMSAUPDNQ-CFVMTHIKSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-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-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
CID 97364540
(4aS,8R,8aS)-8-morpholin-4-yl-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155845227
(3aR,7aS)-N,N-dimethyl-2-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-sulfonamide
CID 97377229
(3S,3aS,7aR)-3-ethoxy-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380135
(3R,3aR,7aS)-3-ethoxy-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124826232
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124800939
N-[[(3R,3aS,7aS)-5-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 124783475
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide (CID 97379834) is N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21.
What is the InChIKey of N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide?
The InChIKey is LHFPNEMSAUPDNQ-CFVMTHIKSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-2-22(18,19)16-14-11-17(10-13-6-4-8-21-13)9-12-5-3-7-20-15(12)14/h4,6,8,12,14-16H,2-3,5,7,9-11H2,1H3/t12-,14+,15-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide?
N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide has a molecular weight of 344.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide is sourced from PubChem (CID 97379834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).