2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid

C15H10N2O4S2 — CID 22939382

IUPAC2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid
SMILESO=C(O)CS(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C15H10N2O4S2/c18-13(19)8-23(21)12-7-3-5-10(16-12)15-17-14(20)9-4-1-2-6-11(9)22-15/h1-7H,8H2,(H,18,19)
InChIKeyNSNNDTIZPSYUOT-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.91
Rot. Bonds4

About 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid

2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid (PubChem CID 22939382) has the molecular formula C15H10N2O4S2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid.

Molecular Properties

Compound Name2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid
PubChem CID22939382
Molecular FormulaC15H10N2O4S2
Molecular Weight346.39 g/mol
Exact Mass346.01
IUPAC Name2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid
SMILESO=C(O)CS(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C15H10N2O4S2/c18-13(19)8-23(21)12-7-3-5-10(16-12)15-17-14(20)9-4-1-2-6-11(9)22-15/h1-7H,8H2,(H,18,19)
InChIKeyNSNNDTIZPSYUOT-UHFFFAOYSA-N
XLogP1.91
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid?
The IUPAC name of 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid (CID 22939382) is 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid.
What is the SMILES notation for 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid?
The canonical SMILES for 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid is O=C(O)CS(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid?
The InChIKey is NSNNDTIZPSYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S2/c18-13(19)8-23(21)12-7-3-5-10(16-12)15-17-14(20)9-4-1-2-6-11(9)22-15/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid?
2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid has a molecular weight of 346.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid is sourced from PubChem (CID 22939382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).