4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide

C15H21F3N4O2S — CID 171324000

IUPAC4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C15H21F3N4O2S/c16-15(17,18)13-1-4-19-14(20-13)22-7-5-21(6-8-22)11-12-2-9-25(23,24)10-3-12/h1,4,12H,2-3,5-11H2
InChIKeyRYIPWDIQFGSPEN-UHFFFAOYSA-N
MW378.42 g/mol
LogP1.44
Rot. Bonds3

About 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide

4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide (PubChem CID 171324000) has the molecular formula C15H21F3N4O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
PubChem CID171324000
Molecular FormulaC15H21F3N4O2S
Molecular Weight378.42 g/mol
Exact Mass378.13
IUPAC Name4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C15H21F3N4O2S/c16-15(17,18)13-1-4-19-14(20-13)22-7-5-21(6-8-22)11-12-2-9-25(23,24)10-3-12/h1,4,12H,2-3,5-11H2
InChIKeyRYIPWDIQFGSPEN-UHFFFAOYSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 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

[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 91660731
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
2,2-diethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 133496926
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
1-cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 36615862
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
1-cyclopropylsulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 154580992
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154583110
2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126855734

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide (CID 171324000) is 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide is O=S1(=O)CCC(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1.
What is the InChIKey of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
The InChIKey is RYIPWDIQFGSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2S/c16-15(17,18)13-1-4-19-14(20-13)22-7-5-21(6-8-22)11-12-2-9-25(23,24)10-3-12/h1,4,12H,2-3,5-11H2.
What are the key properties of 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide?
4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide has a molecular weight of 378.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide is sourced from PubChem (CID 171324000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).