[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol

C5H11NO3S — CID 91666874

IUPAC[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
SMILESO=S1(=O)CCN[C@H](CO)C1
InChIInChI=1S/C5H11NO3S/c7-3-5-4-10(8,9)2-1-6-5/h5-7H,1-4H2/t5-/m1/s1
InChIKeyCGBSWCOIPWWGHT-RXMQYKEDSA-N
MW165.21 g/mol
LogP-1.63
Rot. Bonds1

About [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol

[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol (PubChem CID 91666874) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
PubChem CID91666874
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
SMILESO=S1(=O)CCN[C@H](CO)C1
InChIInChI=1S/C5H11NO3S/c7-3-5-4-10(8,9)2-1-6-5/h5-7H,1-4H2/t5-/m1/s1
InChIKeyCGBSWCOIPWWGHT-RXMQYKEDSA-N
XLogP-1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol?
The IUPAC name of [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol (CID 91666874) is [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol.
What is the SMILES notation for [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol?
The canonical SMILES for [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol is O=S1(=O)CCN[C@H](CO)C1.
What is the InChIKey of [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol?
The InChIKey is CGBSWCOIPWWGHT-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO3S/c7-3-5-4-10(8,9)2-1-6-5/h5-7H,1-4H2/t5-/m1/s1.
What are the key properties of [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol?
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol has a molecular weight of 165.21 g/mol, XLogP of -1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol is sourced from PubChem (CID 91666874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).