(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide

C14H21FN2O4S — CID 51946091

IUPAC(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NCCOc2cccc(F)c2)C[C@@H](C)O1
InChIInChI=1S/C14H21FN2O4S/c1-11-9-17(10-12(2)21-11)22(18,19)16-6-7-20-14-5-3-4-13(15)8-14/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyHAAHNYCMPIZZHJ-VXGBXAGGSA-N
MW332.40 g/mol
LogP1.15
Rot. Bonds6

About (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide

(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 51946091) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID51946091
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NCCOc2cccc(F)c2)C[C@@H](C)O1
InChIInChI=1S/C14H21FN2O4S/c1-11-9-17(10-12(2)21-11)22(18,19)16-6-7-20-14-5-3-4-13(15)8-14/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyHAAHNYCMPIZZHJ-VXGBXAGGSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939893
(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124628988
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-[(3-fluorophenyl)methoxy]phenyl]urea
CID 55834035
(3-fluorophenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8779230
2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62571065
N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 42936490
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
CID 113258257
(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 95280186
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 51946091) is (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)NCCOc2cccc(F)c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is HAAHNYCMPIZZHJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-11-9-17(10-12(2)21-11)22(18,19)16-6-7-20-14-5-3-4-13(15)8-14/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 332.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 51946091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).