2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine

C11H15F3N2O3S2 — CID 166248799

IUPAC2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine
SMILESCc1nc(CS(=O)(=O)N2CCOC(C)(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H15F3N2O3S2/c1-8-15-9(5-20-8)6-21(17,18)16-3-4-19-10(2,7-16)11(12,13)14/h5H,3-4,6-7H2,1-2H3
InChIKeyOLTINBVGYHXWGZ-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine

2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine (PubChem CID 166248799) has the molecular formula C11H15F3N2O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine
PubChem CID166248799
Molecular FormulaC11H15F3N2O3S2
Molecular Weight344.38 g/mol
Exact Mass344.05
IUPAC Name2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine
SMILESCc1nc(CS(=O)(=O)N2CCOC(C)(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H15F3N2O3S2/c1-8-15-9(5-20-8)6-21(17,18)16-3-4-19-10(2,7-16)11(12,13)14/h5H,3-4,6-7H2,1-2H3
InChIKeyOLTINBVGYHXWGZ-UHFFFAOYSA-N
XLogP1.93
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine (CID 166248799) is 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine is Cc1nc(CS(=O)(=O)N2CCOC(C)(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine?
The InChIKey is OLTINBVGYHXWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S2/c1-8-15-9(5-20-8)6-21(17,18)16-3-4-19-10(2,7-16)11(12,13)14/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine?
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine has a molecular weight of 344.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 166248799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).