3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide

C12H21F3N2O2S — CID 80521170

IUPAC3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(CCN2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)10-2-1-5-17(8-10)6-3-11-9-20(18,19)7-4-16-11/h10-11,16H,1-9H2
InChIKeyDSKAUQSEDDADSO-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.04
Rot. Bonds3

About 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide

3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80521170) has the molecular formula C12H21F3N2O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80521170
Molecular FormulaC12H21F3N2O2S
Molecular Weight314.37 g/mol
Exact Mass314.13
IUPAC Name3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(CCN2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)10-2-1-5-17(8-10)6-3-11-9-20(18,19)7-4-16-11/h10-11,16H,1-9H2
InChIKeyDSKAUQSEDDADSO-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
1-(1-Piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 141068345
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827
1-(1,1-dioxothian-4-yl)-N-methyl-4-(trifluoromethyl)piperidin-4-amine
CID 170587372
N-(2,2-difluoroethyl)-1-ethylsulfonyl-N-(piperidin-4-ylmethyl)piperidin-4-amine
CID 172297133
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43780192
N-(3-methylsulfonylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905511
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 60856956
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide (CID 80521170) is 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(CCN2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is DSKAUQSEDDADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2S/c13-12(14,15)10-2-1-5-17(8-10)6-3-11-9-20(18,19)7-4-16-11/h10-11,16H,1-9H2.
What are the key properties of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 314.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80521170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).