2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride

C6H14ClNOS — CID 75525913

IUPAC2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC1CNCC(C)S1=O.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-5-3-7-4-6(2)9(5)8;/h5-7H,3-4H2,1-2H3;1H
InChIKeyPELUEXZCGRIOTK-UHFFFAOYSA-N
MW183.70 g/mol
LogP0.54
Rot. Bonds

About 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride

2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 75525913) has the molecular formula C6H14ClNOS and a molecular weight of 183.70 g/mol. Its IUPAC name is 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID75525913
Molecular FormulaC6H14ClNOS
Molecular Weight183.70 g/mol
Exact Mass183.05
IUPAC Name2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC1CNCC(C)S1=O.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-5-3-7-4-6(2)9(5)8;/h5-7H,3-4H2,1-2H3;1H
InChIKeyPELUEXZCGRIOTK-UHFFFAOYSA-N
XLogP0.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.70
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Thiomorpholine 1-oxide
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2H-1,3-Thiazine, tetrahydro-2-methyl-, hydrochloride
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2-Ethyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061401
Thiomorpholine 1,1-dioxide hydrochloride
CID 12324096
2,2-Dimethylthiomorpholine
CID 19425061
1Lambda4-thiomorpholin-1-one hydrochloride
CID 20441479
3,3-Dimethyl-1lambda4-thiomorpholin-1-one
CID 22363313
2,2-Dimethyl-1-thiomorpholine-1,1-dione
CID 67980490
1-Imino-1lambda6-thiomorpholin-1-one
CID 68485905

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride (CID 75525913) is 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride is CC1CNCC(C)S1=O.Cl.
What is the InChIKey of 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is PELUEXZCGRIOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.ClH/c1-5-3-7-4-6(2)9(5)8;/h5-7H,3-4H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 183.70 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 75525913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).