N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

C13H26ClN3O3S — CID 119967715

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NC2CC3CCC(C2)N3)CC(C)O1.Cl
InChIInChI=1S/C13H25N3O3S.ClH/c1-9-7-16(8-10(2)19-9)20(17,18)15-13-5-11-3-4-12(6-13)14-11;/h9-15H,3-8H2,1-2H3;1H
InChIKeyWSQJXCAJJRRUOM-UHFFFAOYSA-N
MW339.89 g/mol
LogP0.63
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (PubChem CID 119967715) has the molecular formula C13H26ClN3O3S and a molecular weight of 339.89 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
PubChem CID119967715
Molecular FormulaC13H26ClN3O3S
Molecular Weight339.89 g/mol
Exact Mass339.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NC2CC3CCC(C2)N3)CC(C)O1.Cl
InChIInChI=1S/C13H25N3O3S.ClH/c1-9-7-16(8-10(2)19-9)20(17,18)15-13-5-11-3-4-12(6-13)14-11;/h9-15H,3-8H2,1-2H3;1H
InChIKeyWSQJXCAJJRRUOM-UHFFFAOYSA-N
XLogP0.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (CID 119967715) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is CC1CN(S(=O)(=O)NC2CC3CCC(C2)N3)CC(C)O1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The InChIKey is WSQJXCAJJRRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S.ClH/c1-9-7-16(8-10(2)19-9)20(17,18)15-13-5-11-3-4-12(6-13)14-11;/h9-15H,3-8H2,1-2H3;1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119967715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).