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

C5H10ClNO4S — CID 75467773

IUPAC1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CS(=O)(=O)CCN1
InChIInChI=1S/C5H9NO4S.ClH/c7-5(8)4-3-11(9,10)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyNJFKFCKXKGINON-UHFFFAOYSA-N
MW215.66 g/mol
LogP-1.12
Rot. Bonds1

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

1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride (PubChem CID 75467773) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride
PubChem CID75467773
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Name1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CS(=O)(=O)CCN1
InChIInChI=1S/C5H9NO4S.ClH/c7-5(8)4-3-11(9,10)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyNJFKFCKXKGINON-UHFFFAOYSA-N
XLogP-1.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
The IUPAC name of 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride (CID 75467773) is 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CS(=O)(=O)CCN1.
What is the InChIKey of 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
The InChIKey is NJFKFCKXKGINON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S.ClH/c7-5(8)4-3-11(9,10)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H.
What are the key properties of 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride?
1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride has a molecular weight of 215.66 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1,4-thiazinane-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 75467773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).