(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide

C14H23N3O3S — CID 124670346

IUPAC(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C14H23N3O3S/c1-11-9-17(10-12(2)20-11)21(18,19)16-8-14(15)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10,15H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyOQMRTSYLFSENPN-YRGRVCCFSA-N
MW313.42 g/mol
LogP0.63
Rot. Bonds5

About (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide

(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 124670346) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID124670346
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C14H23N3O3S/c1-11-9-17(10-12(2)20-11)21(18,19)16-8-14(15)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10,15H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyOQMRTSYLFSENPN-YRGRVCCFSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296
(2S)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 124682455
(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147251
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-2-phenylacetamide
CID 100851411
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51330775
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
CID 98690603

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 124670346) is (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is OQMRTSYLFSENPN-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-9-17(10-12(2)20-11)21(18,19)16-8-14(15)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10,15H2,1-2H3/t11-,12-,14-/m1/s1.
What are the key properties of (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide?
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 124670346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).