(2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine

C13H20N2OS — CID 166682642

IUPAC(2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine
SMILESCSc1ccc([C@H](C)N2CCO[C@@H](C)C2)cn1
InChIInChI=1S/C13H20N2OS/c1-10-9-15(6-7-16-10)11(2)12-4-5-13(17-3)14-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyWLFMVXZOBBYDKZ-QWRGUYRKSA-N
MW252.38 g/mol
LogP2.59
Rot. Bonds3

About (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine

(2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine (PubChem CID 166682642) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine
PubChem CID166682642
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine
SMILESCSc1ccc([C@H](C)N2CCO[C@@H](C)C2)cn1
InChIInChI=1S/C13H20N2OS/c1-10-9-15(6-7-16-10)11(2)12-4-5-13(17-3)14-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyWLFMVXZOBBYDKZ-QWRGUYRKSA-N
XLogP2.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine with MolForge

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Related Compounds

4-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977780
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196
1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 55016115
2-methyl-4-propan-2-ylmorpholine
CID 176666634
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977201
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
CID 51294713
3-fluoro-N-methyl-4-[1-(2-methylmorpholin-4-yl)ethyl]aniline;molecular hydrogen;sulfane
CID 178034856
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one
CID 75624305
2-(2-methylmorpholin-4-yl)propanedinitrile
CID 130659134
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
CID 124711957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine (CID 166682642) is (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine is CSc1ccc([C@H](C)N2CCO[C@@H](C)C2)cn1.
What is the InChIKey of (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine?
The InChIKey is WLFMVXZOBBYDKZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-9-15(6-7-16-10)11(2)12-4-5-13(17-3)14-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine?
(2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine has a molecular weight of 252.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[(1S)-1-(6-methylsulfanyl-3-pyridinyl)ethyl]morpholine is sourced from PubChem (CID 166682642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).