(3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide

C15H23N3O4S — CID 97423095

IUPAC(3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C15H23N3O4S/c1-17(2)23(19,20)18-8-6-15(12-18)9-14(11-22-15)21-10-13-5-3-4-7-16-13/h3-5,7,14H,6,8-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyBIBYPCCJCRCKRT-CABCVRRESA-N
MW341.43 g/mol
LogP0.64
Rot. Bonds5

About (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide

(3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide (PubChem CID 97423095) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide.

Molecular Properties

Compound Name(3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
PubChem CID97423095
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C15H23N3O4S/c1-17(2)23(19,20)18-8-6-15(12-18)9-14(11-22-15)21-10-13-5-3-4-7-16-13/h3-5,7,14H,6,8-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyBIBYPCCJCRCKRT-CABCVRRESA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The IUPAC name of (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide (CID 97423095) is (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide.
What is the SMILES notation for (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The canonical SMILES for (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide is CN(C)S(=O)(=O)N1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1.
What is the InChIKey of (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The InChIKey is BIBYPCCJCRCKRT-CABCVRRESA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-17(2)23(19,20)18-8-6-15(12-18)9-14(11-22-15)21-10-13-5-3-4-7-16-13/h3-5,7,14H,6,8-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
(3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N,N-dimethyl-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide is sourced from PubChem (CID 97423095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).