(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine

C14H21NO2S — CID 95149940

IUPAC(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine
SMILESC[C@@H]1CN(CC[S@@](=O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C14H21NO2S/c1-12-10-15(11-13(2)17-12)8-9-18(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+,18-/m1/s1
InChIKeyDOIFQUFSQPZMCU-FHSNZYRGSA-N
MW267.39 g/mol
LogP1.90
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine

(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine (PubChem CID 95149940) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine
PubChem CID95149940
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine
SMILESC[C@@H]1CN(CC[S@@](=O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C14H21NO2S/c1-12-10-15(11-13(2)17-12)8-9-18(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+,18-/m1/s1
InChIKeyDOIFQUFSQPZMCU-FHSNZYRGSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
CID 7380570
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
[4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-piperidin-1-ylmethanone
CID 95298457
(2,6-dimethylmorpholin-4-yl)methyl-dimethyl-phenylsilane
CID 117062808
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550
(2R,6R)-2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 7379931
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine (CID 95149940) is (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine is C[C@@H]1CN(CC[S@@](=O)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine?
The InChIKey is DOIFQUFSQPZMCU-FHSNZYRGSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-10-15(11-13(2)17-12)8-9-18(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+,18-/m1/s1.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine has a molecular weight of 267.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[2-[(R)-phenylsulfinyl]ethyl]morpholine is sourced from PubChem (CID 95149940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).