(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine

C14H21NOS — CID 7380570

IUPAC(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
SMILESC[C@H]1CN(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/t12-,13-/m0/s1
InChIKeyPUEXDBWZCWWBQD-STQMWFEESA-N
MW251.39 g/mol
LogP2.89
Rot. Bonds4

About (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine

(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine (PubChem CID 7380570) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
PubChem CID7380570
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
SMILESC[C@H]1CN(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/t12-,13-/m0/s1
InChIKeyPUEXDBWZCWWBQD-STQMWFEESA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
Phenylthioacetic acid, morpholide
CID 532039
2,6-Dimethyl-4-(2-{2-[(4-methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2992992
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
Phenyl morpholine-4-carbodithioate
CID 12560105
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
4-(2-{2-[(4-Methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2995588
4-{4-[(4-Methylphenyl)thio]butyl}morpholine hydrochloride
CID 2996334
1-(2,6-Dimethylmorpholin-4-yl)-3-(phenylsulfonyl)propan-1-one
CID 3163454
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine (CID 7380570) is (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine is C[C@H]1CN(CCSc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine?
The InChIKey is PUEXDBWZCWWBQD-STQMWFEESA-N. 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/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine?
(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine has a molecular weight of 251.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine is sourced from PubChem (CID 7380570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).