4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

C12H14F3NO2S — CID 3325305

IUPAC4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)11-3-1-2-10(8-11)9-16-4-6-19(17,18)7-5-16/h1-3,8H,4-7,9H2
InChIKeyBRNWVCXDCNICCN-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.94
Rot. Bonds2

About 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 3325305) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID3325305
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)11-3-1-2-10(8-11)9-16-4-6-19(17,18)7-5-16/h1-3,8H,4-7,9H2
InChIKeyBRNWVCXDCNICCN-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75470875
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
1-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 63387970
3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide (CID 3325305) is 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is BRNWVCXDCNICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)11-3-1-2-10(8-11)9-16-4-6-19(17,18)7-5-16/h1-3,8H,4-7,9H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 293.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 3325305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).