4-fluoro-1,4-thiazinane 1,1-dioxide

C4H8FNO2S — CID 174877818

IUPAC4-fluoro-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(F)CC1
InChIInChI=1S/C4H8FNO2S/c5-6-1-3-9(7,8)4-2-6/h1-4H2
InChIKeyMOFRWQGPKLWZFS-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.40
Rot. Bonds

About 4-fluoro-1,4-thiazinane 1,1-dioxide

4-fluoro-1,4-thiazinane 1,1-dioxide (PubChem CID 174877818) has the molecular formula C4H8FNO2S and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-fluoro-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-fluoro-1,4-thiazinane 1,1-dioxide
PubChem CID174877818
Molecular FormulaC4H8FNO2S
Molecular Weight153.18 g/mol
Exact Mass153.03
IUPAC Name4-fluoro-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(F)CC1
InChIInChI=1S/C4H8FNO2S/c5-6-1-3-9(7,8)4-2-6/h1-4H2
InChIKeyMOFRWQGPKLWZFS-UHFFFAOYSA-N
XLogP-0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-fluoro-1,4-thiazinane 1,1-dioxide (CID 174877818) is 4-fluoro-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-fluoro-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-fluoro-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(F)CC1.
What is the InChIKey of 4-fluoro-1,4-thiazinane 1,1-dioxide?
The InChIKey is MOFRWQGPKLWZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2S/c5-6-1-3-9(7,8)4-2-6/h1-4H2.
What are the key properties of 4-fluoro-1,4-thiazinane 1,1-dioxide?
4-fluoro-1,4-thiazinane 1,1-dioxide has a molecular weight of 153.18 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 174877818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).