2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one

C13H16F2N2O3S — CID 61369625

IUPAC2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)S(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H16F2N2O3S/c1-8(13(18)17-2-4-20-5-3-17)21(19)12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3
InChIKeyGYFCHWXXDZNPKC-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.90
Rot. Bonds3

About 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one

2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one (PubChem CID 61369625) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
PubChem CID61369625
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)S(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H16F2N2O3S/c1-8(13(18)17-2-4-20-5-3-17)21(19)12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3
InChIKeyGYFCHWXXDZNPKC-UHFFFAOYSA-N
XLogP0.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-5-bromophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
CID 81207163
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid
CID 60982743
2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 43379295
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
2-(3-aminophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81180737
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one (CID 61369625) is 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)S(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is GYFCHWXXDZNPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-8(13(18)17-2-4-20-5-3-17)21(19)12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3.
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one?
2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 318.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 61369625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).