(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone

C13H15FINOS — CID 103739958

IUPAC(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2I)CCS1
InChIInChI=1S/C13H15FINOS/c1-13(2)8-16(5-6-18-13)12(17)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFKYNPLSQAIAIRQ-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.40
Rot. Bonds1

About (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone

(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone (PubChem CID 103739958) has the molecular formula C13H15FINOS and a molecular weight of 379.24 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone
PubChem CID103739958
Molecular FormulaC13H15FINOS
Molecular Weight379.24 g/mol
Exact Mass378.99
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2I)CCS1
InChIInChI=1S/C13H15FINOS/c1-13(2)8-16(5-6-18-13)12(17)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFKYNPLSQAIAIRQ-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-fluorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113252527
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(3-amino-2,5-difluorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 107121474
(7,7-dimethyl-1,4-thiazepan-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107300693
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(2-bromo-4-methylphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113337887
(2-bromo-4-chlorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113257745
5-(2,2-dimethylthiomorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103739963
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314285
(2-bromo-5-chlorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113252544

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone (CID 103739958) is (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone is CC1(C)CN(C(=O)c2ccc(F)cc2I)CCS1.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone?
The InChIKey is FKYNPLSQAIAIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FINOS/c1-13(2)8-16(5-6-18-13)12(17)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone?
(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone has a molecular weight of 379.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 103739958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).