2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride

C6H14ClNOS — CID 91647716

IUPAC2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC1NCCS(=O)C1C.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-5-6(2)9(8)4-3-7-5;/h5-7H,3-4H2,1-2H3;1H
InChIKeyOSBFGOZUMRNQHG-UHFFFAOYSA-N
MW183.70 g/mol
LogP0.54
Rot. Bonds

About 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride

2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 91647716) has the molecular formula C6H14ClNOS and a molecular weight of 183.70 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID91647716
Molecular FormulaC6H14ClNOS
Molecular Weight183.70 g/mol
Exact Mass183.05
IUPAC Name2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC1NCCS(=O)C1C.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-5-6(2)9(8)4-3-7-5;/h5-7H,3-4H2,1-2H3;1H
InChIKeyOSBFGOZUMRNQHG-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

Analyze 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride (CID 91647716) is 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride is CC1NCCS(=O)C1C.Cl.
What is the InChIKey of 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is OSBFGOZUMRNQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.ClH/c1-5-6(2)9(8)4-3-7-5;/h5-7H,3-4H2,1-2H3;1H.
What are the key properties of 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
2,3-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 2,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 91647716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).