(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide

C13H21N3O3S — CID 94173454

IUPAC(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(C)Cc2cccnc2)C[C@@H](C)O1
InChIInChI=1S/C13H21N3O3S/c1-11-8-16(9-12(2)19-11)20(17,18)15(3)10-13-5-4-6-14-7-13/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyRADWXGCIVVQBRJ-VXGBXAGGSA-N
MW299.40 g/mol
LogP0.87
Rot. Bonds4

About (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide

(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide (PubChem CID 94173454) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
PubChem CID94173454
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(C)Cc2cccnc2)C[C@@H](C)O1
InChIInChI=1S/C13H21N3O3S/c1-11-8-16(9-12(2)19-11)20(17,18)15(3)10-13-5-4-6-14-7-13/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyRADWXGCIVVQBRJ-VXGBXAGGSA-N
XLogP0.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
CID 47141073
N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
CID 64517457
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857794
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-butyl-N-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
CID 126806555
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
N-(2-aminoethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 62688438
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide (CID 94173454) is (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)N(C)Cc2cccnc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is RADWXGCIVVQBRJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-11-8-16(9-12(2)19-11)20(17,18)15(3)10-13-5-4-6-14-7-13/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide?
(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 94173454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).