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

C12H15F2NOS — CID 64613287

IUPAC3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1Sc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NOS/c1-15-10-4-5-16-7-12(10)17-11-3-2-8(13)6-9(11)14/h2-3,6,10,12,15H,4-5,7H2,1H3
InChIKeyKZSORPVOFSHFGO-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.43
Rot. Bonds3

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

3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine (PubChem CID 64613287) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine
PubChem CID64613287
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1Sc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NOS/c1-15-10-4-5-16-7-12(10)17-11-3-2-8(13)6-9(11)14/h2-3,6,10,12,15H,4-5,7H2,1H3
InChIKeyKZSORPVOFSHFGO-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine (CID 64613287) is 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine is CNC1CCOCC1Sc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine?
The InChIKey is KZSORPVOFSHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-15-10-4-5-16-7-12(10)17-11-3-2-8(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)sulfanyl-N-methyloxan-4-amine?
3-(2,4-difluorophenyl)sulfanyl-N-methyloxan-4-amine has a molecular weight of 259.32 g/mol, XLogP of 2.43, 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)sulfanyl-N-methyloxan-4-amine is sourced from PubChem (CID 64613287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).