(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone

C11H13FN2OS — CID 62650571

IUPAC(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
SMILESNc1c(F)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-16-7-5-14/h1-3H,4-7,13H2
InChIKeyHDFBPEMPHNOXIO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.60
Rot. Bonds1

About (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone

(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 62650571) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID62650571
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
SMILESNc1c(F)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-16-7-5-14/h1-3H,4-7,13H2
InChIKeyHDFBPEMPHNOXIO-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(2-amino-3-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62775760
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
(2-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62648438
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
(2-amino-3-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625110
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
[2-(ethylamino)-3-fluorophenyl]-(1,4-thiazepan-4-yl)methanone
CID 62660209
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone (CID 62650571) is (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone is Nc1c(F)cccc1C(=O)N1CCSCC1.
What is the InChIKey of (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is HDFBPEMPHNOXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-16-7-5-14/h1-3H,4-7,13H2.
What are the key properties of (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone?
(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 240.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 62650571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).