(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium

C14H22NOS+ — CID 7380571

IUPAC(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCSc2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C14H21NOS/c1-12-10-15(11-13(2)16-12)8-9-17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/p+1/t12-,13-/m1/s1
InChIKeyPUEXDBWZCWWBQD-CHWSQXEVSA-O
MW252.40 g/mol
LogP1.47
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium

(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium (PubChem CID 7380571) has the molecular formula C14H22NOS+ and a molecular weight of 252.40 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium
PubChem CID7380571
Molecular FormulaC14H22NOS+
Molecular Weight252.40 g/mol
Exact Mass252.14
IUPAC Name(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCSc2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C14H21NOS/c1-12-10-15(11-13(2)16-12)8-9-17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/p+1/t12-,13-/m1/s1
InChIKeyPUEXDBWZCWWBQD-CHWSQXEVSA-O
XLogP1.47
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2182894
(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
CID 7380570
(3S,5S)-3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium
CID 7285533
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium
CID 7302647
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960
(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
CID 7242955
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
CID 2183058
1-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]phenyl]ethanone
CID 7380245
(2R,3R,5S)-2,5-dimethyl-2-(3-phenylsulfanylpropyl)oxolan-3-ol
CID 100947755
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzaldehyde
CID 7394469

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium (CID 7380571) is (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium is C[C@@H]1C[NH+](CCSc2ccccc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium?
The InChIKey is PUEXDBWZCWWBQD-CHWSQXEVSA-O. The full InChI is InChI=1S/C14H21NOS/c1-12-10-15(11-13(2)16-12)8-9-17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/p+1/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium?
(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium has a molecular weight of 252.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium is sourced from PubChem (CID 7380571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).