1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride

C5H10ClNO3S — CID 75481200

IUPAC1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CS(=O)CCN1
InChIInChI=1S/C5H9NO3S.ClH/c7-5(8)4-3-10(9)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyWWGMNTLLDOSUFS-UHFFFAOYSA-N
MW199.66 g/mol
LogP-0.79
Rot. Bonds1

About 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride

1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride (PubChem CID 75481200) has the molecular formula C5H10ClNO3S and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride
PubChem CID75481200
Molecular FormulaC5H10ClNO3S
Molecular Weight199.66 g/mol
Exact Mass199.01
IUPAC Name1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CS(=O)CCN1
InChIInChI=1S/C5H9NO3S.ClH/c7-5(8)4-3-10(9)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyWWGMNTLLDOSUFS-UHFFFAOYSA-N
XLogP-0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride (CID 75481200) is 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CS(=O)CCN1.
What is the InChIKey of 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
The InChIKey is WWGMNTLLDOSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S.ClH/c7-5(8)4-3-10(9)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H.
What are the key properties of 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride has a molecular weight of 199.66 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 75481200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).