3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine

C12H15F2NO2S — CID 64652009

IUPAC3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2S/c1-15-10-4-5-17-7-12(10)18(16)11-3-2-8(13)6-9(11)14/h2-3,6,10,12,15H,4-5,7H2,1H3
InChIKeyCCMOHDUEIFKGCB-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.45
Rot. Bonds3

About 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine

3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine (PubChem CID 64652009) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine
PubChem CID64652009
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2S/c1-15-10-4-5-17-7-12(10)18(16)11-3-2-8(13)6-9(11)14/h2-3,6,10,12,15H,4-5,7H2,1H3
InChIKeyCCMOHDUEIFKGCB-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64658723
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
2,4-difluoro-N-methylbenzenesulfinamide
CID 142228854
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
CID 81328856
2-(2,4-difluorophenyl)sulfinyl-4-ethylcyclohexan-1-amine
CID 64652416

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine (CID 64652009) is 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine is CNC1CCOCC1S(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine?
The InChIKey is CCMOHDUEIFKGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-15-10-4-5-17-7-12(10)18(16)11-3-2-8(13)6-9(11)14/h2-3,6,10,12,15H,4-5,7H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine?
3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine has a molecular weight of 275.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine is sourced from PubChem (CID 64652009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).