(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine

C11H18N2O2S — CID 100654312

IUPAC(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine
SMILESCOC[C@@H]1CN(Cc2cncs2)C[C@H](C)O1
InChIInChI=1S/C11H18N2O2S/c1-9-4-13(5-10(15-9)7-14-2)6-11-3-12-8-16-11/h3,8-10H,4-7H2,1-2H3/t9-,10-/m0/s1
InChIKeySCFXSQIDWXEZRK-UWVGGRQHSA-N
MW242.34 g/mol
LogP1.38
Rot. Bonds4

About (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine

(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine (PubChem CID 100654312) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine
PubChem CID100654312
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine
SMILESCOC[C@@H]1CN(Cc2cncs2)C[C@H](C)O1
InChIInChI=1S/C11H18N2O2S/c1-9-4-13(5-10(15-9)7-14-2)6-11-3-12-8-16-11/h3,8-10H,4-7H2,1-2H3/t9-,10-/m0/s1
InChIKeySCFXSQIDWXEZRK-UWVGGRQHSA-N
XLogP1.38
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine?
The IUPAC name of (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine (CID 100654312) is (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine.
What is the SMILES notation for (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine?
The canonical SMILES for (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine is COC[C@@H]1CN(Cc2cncs2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine?
The InChIKey is SCFXSQIDWXEZRK-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-4-13(5-10(15-9)7-14-2)6-11-3-12-8-16-11/h3,8-10H,4-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine?
(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine has a molecular weight of 242.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine is sourced from PubChem (CID 100654312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).