(3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide

C25H32FNO4S — CID 129115002

IUPAC(3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2(C)CCOCC2)cc1F
InChIInChI=1S/C25H32FNO4S/c1-19-8-11-24(20-6-4-3-5-7-20)32(28,29)27(19)17-21-9-10-22(16-23(21)26)31-18-25(2)12-14-30-15-13-25/h3-7,9-10,16,19,24H,8,11-15,17-18H2,1-2H3/t19-,24+/m0/s1
InChIKeyZXWBQZOEFNADIZ-YADARESESA-N
MW461.60 g/mol
LogP5.08
Rot. Bonds6

About (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide

(3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide (PubChem CID 129115002) has the molecular formula C25H32FNO4S and a molecular weight of 461.60 g/mol. Its IUPAC name is (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
PubChem CID129115002
Molecular FormulaC25H32FNO4S
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name(3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2(C)CCOCC2)cc1F
InChIInChI=1S/C25H32FNO4S/c1-19-8-11-24(20-6-4-3-5-7-20)32(28,29)27(19)17-21-9-10-22(16-23(21)26)31-18-25(2)12-14-30-15-13-25/h3-7,9-10,16,19,24H,8,11-15,17-18H2,1-2H3/t19-,24+/m0/s1
InChIKeyZXWBQZOEFNADIZ-YADARESESA-N
XLogP5.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]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

Related Compounds

N-(2-methylpropyl)-N-[[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-1-phenylmethanesulfonamide
CID 89659229
N-(2-methylpropyl)-N-[[4-[[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 89659471
US9751873, Example 38
CID 118223002
US9751873, Example 3
CID 118223098
N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenoxy)propane-1-sulfonamide
CID 16884384
n,n-Bis(4-methoxybenzyl)ethenesulfonamide
CID 58252245
US9751873, Example 4
CID 118223024
4-Benzyl-1-((3-(4-fluorophenoxy)propyl)sulfonyl)piperidine
CID 16884314
US20250115569, Example 124
CID 168898969
US20250115569, Example 125
CID 168899076
N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 42925313
2-(4-Ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine
CID 42938528

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The IUPAC name of (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide (CID 129115002) is (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide.
What is the SMILES notation for (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The canonical SMILES for (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2(C)CCOCC2)cc1F.
What is the InChIKey of (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The InChIKey is ZXWBQZOEFNADIZ-YADARESESA-N. The full InChI is InChI=1S/C25H32FNO4S/c1-19-8-11-24(20-6-4-3-5-7-20)32(28,29)27(19)17-21-9-10-22(16-23(21)26)31-18-25(2)12-14-30-15-13-25/h3-7,9-10,16,19,24H,8,11-15,17-18H2,1-2H3/t19-,24+/m0/s1.
What are the key properties of (3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
(3S,6R)-2-[[2-fluoro-4-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide has a molecular weight of 461.60 g/mol, XLogP of 5.08, 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-[(4-methyloxan-4-yl)methoxy]phenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide is sourced from PubChem (CID 129115002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).