(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol

C8H16FNO3S — CID 154680480

IUPAC(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
SMILESC[C@H](F)[C@@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO3S/c1-7(9)8(6-11)10-2-4-14(12,13)5-3-10/h7-8,11H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyWWEASGPXQLNTSD-JGVFFNPUSA-N
MW225.28 g/mol
LogP-0.56
Rot. Bonds3

About (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol

(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol (PubChem CID 154680480) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
PubChem CID154680480
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
SMILESC[C@H](F)[C@@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO3S/c1-7(9)8(6-11)10-2-4-14(12,13)5-3-10/h7-8,11H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyWWEASGPXQLNTSD-JGVFFNPUSA-N
XLogP-0.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol?
The IUPAC name of (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol (CID 154680480) is (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol.
What is the SMILES notation for (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol?
The canonical SMILES for (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol is C[C@H](F)[C@@H](CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol?
The InChIKey is WWEASGPXQLNTSD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16FNO3S/c1-7(9)8(6-11)10-2-4-14(12,13)5-3-10/h7-8,11H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol?
(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol has a molecular weight of 225.28 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol is sourced from PubChem (CID 154680480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).