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

C22H27FN2O3S — CID 139542408

IUPAC4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine
SMILESNC1(c2ccc(CN3CCC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CCOCC1
InChIInChI=1S/C22H27FN2O3S/c23-20-15-19(22(24)10-13-28-14-11-22)9-8-18(20)16-25-12-4-7-21(29(25,26)27)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21H,4,7,10-14,16,24H2/t21-/m1/s1
InChIKeyFJHUQEOUCCCHKD-OAQYLSRUSA-N
MW418.53 g/mol
LogP3.46
Rot. Bonds4

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

4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine (PubChem CID 139542408) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine.

Molecular Properties

Compound Name4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine
PubChem CID139542408
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine
SMILESNC1(c2ccc(CN3CCC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CCOCC1
InChIInChI=1S/C22H27FN2O3S/c23-20-15-19(22(24)10-13-28-14-11-22)9-8-18(20)16-25-12-4-7-21(29(25,26)27)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21H,4,7,10-14,16,24H2/t21-/m1/s1
InChIKeyFJHUQEOUCCCHKD-OAQYLSRUSA-N
XLogP3.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine?
The IUPAC name of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine (CID 139542408) is 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine.
What is the SMILES notation for 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine?
The canonical SMILES for 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine is NC1(c2ccc(CN3CCC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CCOCC1.
What is the InChIKey of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine?
The InChIKey is FJHUQEOUCCCHKD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c23-20-15-19(22(24)10-13-28-14-11-22)9-8-18(20)16-25-12-4-7-21(29(25,26)27)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21H,4,7,10-14,16,24H2/t21-/m1/s1.
What are the key properties of 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine?
4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine has a molecular weight of 418.53 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine is sourced from PubChem (CID 139542408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).