4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine

C23H29FN2O3S — CID 123437580

IUPAC4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(N)CCOCC2)cc1F
InChIInChI=1S/C23H29FN2O3S/c1-17-7-10-22(18-5-3-2-4-6-18)30(27,28)26(17)16-19-8-9-20(15-21(19)24)23(25)11-13-29-14-12-23/h2-6,8-9,15,17,22H,7,10-14,16,25H2,1H3
InChIKeyXGCMURNSXSMELT-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.85
Rot. Bonds4

About 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine

4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine (PubChem CID 123437580) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
PubChem CID123437580
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC Name4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(N)CCOCC2)cc1F
InChIInChI=1S/C23H29FN2O3S/c1-17-7-10-22(18-5-3-2-4-6-18)30(27,28)26(17)16-19-8-9-20(15-21(19)24)23(25)11-13-29-14-12-23/h2-6,8-9,15,17,22H,7,10-14,16,25H2,1H3
InChIKeyXGCMURNSXSMELT-UHFFFAOYSA-N
XLogP3.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-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 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine?
The IUPAC name of 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine (CID 123437580) is 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine.
What is the SMILES notation for 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine?
The canonical SMILES for 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine is CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(N)CCOCC2)cc1F.
What is the InChIKey of 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine?
The InChIKey is XGCMURNSXSMELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-17-7-10-22(18-5-3-2-4-6-18)30(27,28)26(17)16-19-8-9-20(15-21(19)24)23(25)11-13-29-14-12-23/h2-6,8-9,15,17,22H,7,10-14,16,25H2,1H3.
What are the key properties of 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine?
4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine has a molecular weight of 432.56 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine is sourced from PubChem (CID 123437580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).