2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide

C24H22F3NOS — CID 69057203

IUPAC2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1
InChIInChI=1S/C24H22F3NOS/c25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-28-14-15-30(29)23(17-28)20-6-2-1-3-7-20/h1-13,23H,14-17H2
InChIKeyYJKVEXSVPPRREE-UHFFFAOYSA-N
MW429.51 g/mol
LogP5.68
Rot. Bonds4

About 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide

2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide (PubChem CID 69057203) has the molecular formula C24H22F3NOS and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide
PubChem CID69057203
Molecular FormulaC24H22F3NOS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1
InChIInChI=1S/C24H22F3NOS/c25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-28-14-15-30(29)23(17-28)20-6-2-1-3-7-20/h1-13,23H,14-17H2
InChIKeyYJKVEXSVPPRREE-UHFFFAOYSA-N
XLogP5.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide
CID 69150558
1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 158531265
2-[(2S)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-2-phenylacetaldehyde
CID 87707703
(2S)-4-[(4-bromophenyl)methyl]-2-phenylmorpholine;(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine;[2-(trifluoromethyl)phenyl]boronic acid
CID 159211932
N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 159313660
(3R)-3-benzyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;[(2R)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
CID 160679268
4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine;2,6-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine;[2-(trifluoromethyl)phenyl]boronic acid
CID 161400390
2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82039542
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
CID 163662907
N-methyl-1-[4-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 58609638
2-chloro-5-[(3-phenylpiperazin-1-yl)methyl]pyrimidine;5-[(3-phenylpiperazin-1-yl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 158539317

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide (CID 69057203) is 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide is O=S1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.
What is the InChIKey of 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide?
The InChIKey is YJKVEXSVPPRREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NOS/c25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-28-14-15-30(29)23(17-28)20-6-2-1-3-7-20/h1-13,23H,14-17H2.
What are the key properties of 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide?
2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide has a molecular weight of 429.51 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 69057203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).