(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione

C11H13FN2OS — CID 58155253

IUPAC(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione
SMILESC[C@@]1(c2cc(N)ccc2F)COCC(=S)N1
InChIInChI=1S/C11H13FN2OS/c1-11(6-15-5-10(16)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyIAPITDHKSSOBLZ-NSHDSACASA-N
MW240.30 g/mol
LogP1.57
Rot. Bonds1

About (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione

(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione (PubChem CID 58155253) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione.

Molecular Properties

Compound Name(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione
PubChem CID58155253
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione
SMILESC[C@@]1(c2cc(N)ccc2F)COCC(=S)N1
InChIInChI=1S/C11H13FN2OS/c1-11(6-15-5-10(16)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyIAPITDHKSSOBLZ-NSHDSACASA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione?
The IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione (CID 58155253) is (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione.
What is the SMILES notation for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione?
The canonical SMILES for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione is C[C@@]1(c2cc(N)ccc2F)COCC(=S)N1.
What is the InChIKey of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione?
The InChIKey is IAPITDHKSSOBLZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-11(6-15-5-10(16)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione?
(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione has a molecular weight of 240.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione is sourced from PubChem (CID 58155253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).