(3R)-3-methylthiazinane 1,1-dioxide

C5H11NO2S — CID 102176292

IUPAC(3R)-3-methylthiazinane 1,1-dioxide
SMILESC[C@@H]1CCCS(=O)(=O)N1
InChIInChI=1S/C5H11NO2S/c1-5-3-2-4-9(7,8)6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyYKURSMKKFYMPQJ-RXMQYKEDSA-N
MW149.21 g/mol
LogP0.09
Rot. Bonds

About (3R)-3-methylthiazinane 1,1-dioxide

(3R)-3-methylthiazinane 1,1-dioxide (PubChem CID 102176292) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (3R)-3-methylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-methylthiazinane 1,1-dioxide
PubChem CID102176292
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(3R)-3-methylthiazinane 1,1-dioxide
SMILESC[C@@H]1CCCS(=O)(=O)N1
InChIInChI=1S/C5H11NO2S/c1-5-3-2-4-9(7,8)6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyYKURSMKKFYMPQJ-RXMQYKEDSA-N
XLogP0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylthiazinane 1,1-dioxide?
The IUPAC name of (3R)-3-methylthiazinane 1,1-dioxide (CID 102176292) is (3R)-3-methylthiazinane 1,1-dioxide.
What is the SMILES notation for (3R)-3-methylthiazinane 1,1-dioxide?
The canonical SMILES for (3R)-3-methylthiazinane 1,1-dioxide is C[C@@H]1CCCS(=O)(=O)N1.
What is the InChIKey of (3R)-3-methylthiazinane 1,1-dioxide?
The InChIKey is YKURSMKKFYMPQJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5-3-2-4-9(7,8)6-5/h5-6H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methylthiazinane 1,1-dioxide?
(3R)-3-methylthiazinane 1,1-dioxide has a molecular weight of 149.21 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylthiazinane 1,1-dioxide is sourced from PubChem (CID 102176292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).