3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide

C13H17FN2OS — CID 177255539

IUPAC3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide
SMILESCC1CN(C(N)=O)C(c2ccc(F)cc2)C(C)S1
InChIInChI=1S/C13H17FN2OS/c1-8-7-16(13(15)17)12(9(2)18-8)10-3-5-11(14)6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H2,15,17)
InChIKeyXWSSOEXXBXECIB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.77
Rot. Bonds1

About 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide

3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide (PubChem CID 177255539) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide
PubChem CID177255539
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide
SMILESCC1CN(C(N)=O)C(c2ccc(F)cc2)C(C)S1
InChIInChI=1S/C13H17FN2OS/c1-8-7-16(13(15)17)12(9(2)18-8)10-3-5-11(14)6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H2,15,17)
InChIKeyXWSSOEXXBXECIB-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide (CID 177255539) is 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide is CC1CN(C(N)=O)C(c2ccc(F)cc2)C(C)S1.
What is the InChIKey of 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide?
The InChIKey is XWSSOEXXBXECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-8-7-16(13(15)17)12(9(2)18-8)10-3-5-11(14)6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H2,15,17).
What are the key properties of 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide?
3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,6-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 177255539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).