3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride

C5H12ClNO2S — CID 75525602

IUPAC3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCC1CS(=O)(=O)CCN1.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-5-4-9(7,8)3-2-6-5;/h5-6H,2-4H2,1H3;1H
InChIKeyQMMVGYKZNPZHPV-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.19
Rot. Bonds

About 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride

3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride (PubChem CID 75525602) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
PubChem CID75525602
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCC1CS(=O)(=O)CCN1.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-5-4-9(7,8)3-2-6-5;/h5-6H,2-4H2,1H3;1H
InChIKeyQMMVGYKZNPZHPV-UHFFFAOYSA-N
XLogP-0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The IUPAC name of 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride (CID 75525602) is 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The canonical SMILES for 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride is CC1CS(=O)(=O)CCN1.Cl.
What is the InChIKey of 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The InChIKey is QMMVGYKZNPZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-5-4-9(7,8)3-2-6-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 75525602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).