3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol

C8H16FNO2S — CID 154680422

IUPAC3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol
SMILESCC(F)C(CO)N1CCS(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-7(9)8(6-11)10-2-4-13(12)5-3-10/h7-8,11H,2-6H2,1H3
InChIKeyQMGIKGRVJXECDH-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.23
Rot. Bonds3

About 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol

3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol (PubChem CID 154680422) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol
PubChem CID154680422
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol
SMILESCC(F)C(CO)N1CCS(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-7(9)8(6-11)10-2-4-13(12)5-3-10/h7-8,11H,2-6H2,1H3
InChIKeyQMGIKGRVJXECDH-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol?
The IUPAC name of 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol (CID 154680422) is 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol.
What is the SMILES notation for 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol?
The canonical SMILES for 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol is CC(F)C(CO)N1CCS(=O)CC1.
What is the InChIKey of 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol?
The InChIKey is QMGIKGRVJXECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(9)8(6-11)10-2-4-13(12)5-3-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol?
3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol is sourced from PubChem (CID 154680422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).