(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide

C18H23N3O3S — CID 98690603

IUPAC(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O3S/c1-14-12-21(13-15(2)24-14)25(22,23)20-18(16-8-4-3-5-9-16)17-10-6-7-11-19-17/h3-11,14-15,18,20H,12-13H2,1-2H3/t14-,15-,18-/m1/s1
InChIKeyZOCBYSXSSAOCGY-IIDMSEBBSA-N
MW361.47 g/mol
LogP2.11
Rot. Bonds5

About (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide

(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide (PubChem CID 98690603) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
PubChem CID98690603
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O3S/c1-14-12-21(13-15(2)24-14)25(22,23)20-18(16-8-4-3-5-9-16)17-10-6-7-11-19-17/h3-11,14-15,18,20H,12-13H2,1-2H3/t14-,15-,18-/m1/s1
InChIKeyZOCBYSXSSAOCGY-IIDMSEBBSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide
CID 98751031
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-2-phenylacetamide
CID 100851411
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346
2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
CID 47023158
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652537
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide (CID 98690603) is (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide?
The InChIKey is ZOCBYSXSSAOCGY-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-12-21(13-15(2)24-14)25(22,23)20-18(16-8-4-3-5-9-16)17-10-6-7-11-19-17/h3-11,14-15,18,20H,12-13H2,1-2H3/t14-,15-,18-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide?
(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 98690603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).