(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride

C6H10ClNO4S — CID 121230879

IUPAC(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1N[C@@H](C(=O)O)CCS1
InChIInChI=1S/C6H9NO4S.ClH/c8-5(9)3-1-2-12-4(7-3)6(10)11;/h3-4,7H,1-2H2,(H,8,9)(H,10,11);1H/t3-,4?;/m1./s1
InChIKeySKUXUBUSAYNUAP-XPTOHWELSA-N
MW227.67 g/mol
LogP-0.00
Rot. Bonds2

About (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride

(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride (PubChem CID 121230879) has the molecular formula C6H10ClNO4S and a molecular weight of 227.67 g/mol. Its IUPAC name is (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
PubChem CID121230879
Molecular FormulaC6H10ClNO4S
Molecular Weight227.67 g/mol
Exact Mass227.00
IUPAC Name(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1N[C@@H](C(=O)O)CCS1
InChIInChI=1S/C6H9NO4S.ClH/c8-5(9)3-1-2-12-4(7-3)6(10)11;/h3-4,7H,1-2H2,(H,8,9)(H,10,11);1H/t3-,4?;/m1./s1
InChIKeySKUXUBUSAYNUAP-XPTOHWELSA-N
XLogP-0.00
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
CID 22302524
2-phenyl-1,3-thiazinane-4-carboxylic acid
CID 60919404
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
CID 104575610
2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid
CID 106676060
2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazinane-4-carboxylic acid
CID 80500647
2-(4-ethylphenyl)-1,3-thiazinane-4-carboxylic acid
CID 54933770
2-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 154362128
2-(5-bromothiophen-3-yl)-1,3-thiazinane-4-carboxylic acid
CID 130524716

Frequently Asked Questions

What is the IUPAC name of (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride?
The IUPAC name of (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride (CID 121230879) is (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride.
What is the SMILES notation for (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride?
The canonical SMILES for (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride is Cl.O=C(O)C1N[C@@H](C(=O)O)CCS1.
What is the InChIKey of (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride?
The InChIKey is SKUXUBUSAYNUAP-XPTOHWELSA-N. The full InChI is InChI=1S/C6H9NO4S.ClH/c8-5(9)3-1-2-12-4(7-3)6(10)11;/h3-4,7H,1-2H2,(H,8,9)(H,10,11);1H/t3-,4?;/m1./s1.
What are the key properties of (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride?
(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride has a molecular weight of 227.67 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 121230879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).