4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide

C9H17FN2OS — CID 164646627

IUPAC4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(C2CCNCC2F)CC1
InChIInChI=1S/C9H17FN2OS/c10-8-7-11-2-1-9(8)12-3-5-14(13)6-4-12/h8-9,11H,1-7H2
InChIKeyGZFPHGNTJQDVOB-UHFFFAOYSA-N
MW220.31 g/mol
LogP-0.25
Rot. Bonds1

About 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide

4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 164646627) has the molecular formula C9H17FN2OS and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID164646627
Molecular FormulaC9H17FN2OS
Molecular Weight220.31 g/mol
Exact Mass220.10
IUPAC Name4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(C2CCNCC2F)CC1
InChIInChI=1S/C9H17FN2OS/c10-8-7-11-2-1-9(8)12-3-5-14(13)6-4-12/h8-9,11H,1-7H2
InChIKeyGZFPHGNTJQDVOB-UHFFFAOYSA-N
XLogP-0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide (CID 164646627) is 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide is O=S1CCN(C2CCNCC2F)CC1.
What is the InChIKey of 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is GZFPHGNTJQDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2OS/c10-8-7-11-2-1-9(8)12-3-5-14(13)6-4-12/h8-9,11H,1-7H2.
What are the key properties of 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide?
4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 220.31 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 164646627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).