(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide

C24H30FNO4S — CID 118223098

IUPAC(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2CCOCC2)cc1F
InChIInChI=1S/C24H30FNO4S/c1-18-7-10-24(20-5-3-2-4-6-20)31(27,28)26(18)16-21-8-9-22(15-23(21)25)30-17-19-11-13-29-14-12-19/h2-6,8-9,15,18-19,24H,7,10-14,16-17H2,1H3/t18-,24+/m0/s1
InChIKeyLKCVDAJJOWDVJU-MHECFPHRSA-N
MW447.57 g/mol
LogP4.69
Rot. Bonds6

About (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide

(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide (PubChem CID 118223098) has the molecular formula C24H30FNO4S and a molecular weight of 447.57 g/mol. Its IUPAC name is (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
PubChem CID118223098
Molecular FormulaC24H30FNO4S
Molecular Weight447.57 g/mol
Exact Mass447.19
IUPAC Name(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2CCOCC2)cc1F
InChIInChI=1S/C24H30FNO4S/c1-18-7-10-24(20-5-3-2-4-6-20)31(27,28)26(18)16-21-8-9-22(15-23(21)25)30-17-19-11-13-29-14-12-19/h2-6,8-9,15,18-19,24H,7,10-14,16-17H2,1H3/t18-,24+/m0/s1
InChIKeyLKCVDAJJOWDVJU-MHECFPHRSA-N
XLogP4.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide 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 (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The IUPAC name of (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide (CID 118223098) is (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide.
What is the SMILES notation for (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The canonical SMILES for (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2CCOCC2)cc1F.
What is the InChIKey of (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The InChIKey is LKCVDAJJOWDVJU-MHECFPHRSA-N. The full InChI is InChI=1S/C24H30FNO4S/c1-18-7-10-24(20-5-3-2-4-6-20)31(27,28)26(18)16-21-8-9-22(15-23(21)25)30-17-19-11-13-29-14-12-19/h2-6,8-9,15,18-19,24H,7,10-14,16-17H2,1H3/t18-,24+/m0/s1.
What are the key properties of (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide has a molecular weight of 447.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-2-[[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide is sourced from PubChem (CID 118223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).