2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

C8H14FNO2S — CID 130165144

IUPAC2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H14FNO2S/c1-8(2,9)7(11)10-3-5-13(12)6-4-10/h3-6H2,1-2H3
InChIKeyHFXXQIBRSFMVIE-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.33
Rot. Bonds1

About 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 130165144) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID130165144
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H14FNO2S/c1-8(2,9)7(11)10-3-5-13(12)6-4-10/h3-6H2,1-2H3
InChIKeyHFXXQIBRSFMVIE-UHFFFAOYSA-N
XLogP0.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one (CID 130165144) is 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one is CC(C)(F)C(=O)N1CCS(=O)CC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is HFXXQIBRSFMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-8(2,9)7(11)10-3-5-13(12)6-4-10/h3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 130165144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).