2-(3-fluorophenyl)thiomorpholine-4-carboxamide

C11H13FN2OS — CID 134584911

IUPAC2-(3-fluorophenyl)thiomorpholine-4-carboxamide
SMILESNC(=O)N1CCSC(c2cccc(F)c2)C1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-2-8(6-9)10-7-14(11(13)15)4-5-16-10/h1-3,6,10H,4-5,7H2,(H2,13,15)
InChIKeyBFKYFSGTVXKJSP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.99
Rot. Bonds1

About 2-(3-fluorophenyl)thiomorpholine-4-carboxamide

2-(3-fluorophenyl)thiomorpholine-4-carboxamide (PubChem CID 134584911) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)thiomorpholine-4-carboxamide
PubChem CID134584911
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name2-(3-fluorophenyl)thiomorpholine-4-carboxamide
SMILESNC(=O)N1CCSC(c2cccc(F)c2)C1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-2-8(6-9)10-7-14(11(13)15)4-5-16-10/h1-3,6,10H,4-5,7H2,(H2,13,15)
InChIKeyBFKYFSGTVXKJSP-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)thiomorpholine-4-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)thiomorpholine-4-carboxamide (CID 134584911) is 2-(3-fluorophenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)thiomorpholine-4-carboxamide is NC(=O)N1CCSC(c2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenyl)thiomorpholine-4-carboxamide?
The InChIKey is BFKYFSGTVXKJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-3-1-2-8(6-9)10-7-14(11(13)15)4-5-16-10/h1-3,6,10H,4-5,7H2,(H2,13,15).
What are the key properties of 2-(3-fluorophenyl)thiomorpholine-4-carboxamide?
2-(3-fluorophenyl)thiomorpholine-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 134584911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).