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

C23H29FN2O3S — CID 123437580

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 Name: 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
• PubChem CID: 123437580
• Molecular Formula: C23H29FN2O3S
• Molecular Weight: 432.56 g/mol
• Exact Mass: 432.19
• IUPAC Name: 4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
• SMILES: CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(N)CCOCC2)cc1F
• InChI: 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
• InChIKey: XGCMURNSXSMELT-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 72.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.56
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).