4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

C11H19F3N2O2S — CID 75523909

IUPAC4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)9-15-3-1-10(2-4-15)16-5-7-19(17,18)8-6-16/h10H,1-9H2
InChIKeyVDLOWPXELWAUAP-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.74
Rot. Bonds2

About 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 75523909) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID75523909
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC Name4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)9-15-3-1-10(2-4-15)16-5-7-19(17,18)8-6-16/h10H,1-9H2
InChIKeyVDLOWPXELWAUAP-UHFFFAOYSA-N
XLogP0.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Piperidin-1-yl-2-(piperidin-1-ylmethyl)thietane 1,1-dioxide
CID 282205
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 86794900
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine
CID 89375376
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-4-piperidin-1-ylpiperidine
CID 89762777
4,4-Difluoro-1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 157590168
4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine
CID 167027086
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 60309172
N-(1,1-dioxothian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63922326
4-[1-(3,3,3-Trifluoropropyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 86794901
4-(Difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine
CID 115051911

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 75523909) is 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is VDLOWPXELWAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c12-11(13,14)9-15-3-1-10(2-4-15)16-5-7-19(17,18)8-6-16/h10H,1-9H2.
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 300.35 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75523909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).