(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide

C15H23N3O4S — CID 97422612

IUPAC(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1
InChIInChI=1S/C15H23N3O4S/c1-17(2)23(19,20)18-8-5-14-15(11-18,6-9-21-14)12-22-13-4-3-7-16-10-13/h3-4,7,10,14H,5-6,8-9,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyBNLILFPXNUGJSJ-CABCVRRESA-N
MW341.43 g/mol
LogP0.75
Rot. Bonds5

About (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide

(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide (PubChem CID 97422612) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide
PubChem CID97422612
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1
InChIInChI=1S/C15H23N3O4S/c1-17(2)23(19,20)18-8-5-14-15(11-18,6-9-21-14)12-22-13-4-3-7-16-10-13/h3-4,7,10,14H,5-6,8-9,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyBNLILFPXNUGJSJ-CABCVRRESA-N
XLogP0.75
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide?
The IUPAC name of (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide (CID 97422612) is (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide.
What is the SMILES notation for (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide?
The canonical SMILES for (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1.
What is the InChIKey of (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide?
The InChIKey is BNLILFPXNUGJSJ-CABCVRRESA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-17(2)23(19,20)18-8-5-14-15(11-18,6-9-21-14)12-22-13-4-3-7-16-10-13/h3-4,7,10,14H,5-6,8-9,11-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide?
(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-sulfonamide is sourced from PubChem (CID 97422612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).