4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide

C13H25FN2O2S — CID 91225407

IUPAC4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCN1CCC(F)CC1C1CS(=O)(=O)CCN1CC
InChIInChI=1S/C13H25FN2O2S/c1-3-15-6-5-11(14)9-12(15)13-10-19(17,18)8-7-16(13)4-2/h11-13H,3-10H2,1-2H3
InChIKeyZBGSPPWKQJFAPQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP0.93
Rot. Bonds3

About 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide

4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 91225407) has the molecular formula C13H25FN2O2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID91225407
Molecular FormulaC13H25FN2O2S
Molecular Weight292.42 g/mol
Exact Mass292.16
IUPAC Name4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCN1CCC(F)CC1C1CS(=O)(=O)CCN1CC
InChIInChI=1S/C13H25FN2O2S/c1-3-15-6-5-11(14)9-12(15)13-10-19(17,18)8-7-16(13)4-2/h11-13H,3-10H2,1-2H3
InChIKeyZBGSPPWKQJFAPQ-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide (CID 91225407) is 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide is CCN1CCC(F)CC1C1CS(=O)(=O)CCN1CC.
What is the InChIKey of 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZBGSPPWKQJFAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2S/c1-3-15-6-5-11(14)9-12(15)13-10-19(17,18)8-7-16(13)4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide?
4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 292.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-ethyl-4-fluoropiperidin-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91225407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).