5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid

C9H10ClNO3S2 — CID 65171065

IUPAC5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid
SMILESO=C(O)C1CS(=O)CC(c2ccc(Cl)s2)N1
InChIInChI=1S/C9H10ClNO3S2/c10-8-2-1-7(15-8)5-3-16(14)4-6(11-5)9(12)13/h1-2,5-6,11H,3-4H2,(H,12,13)
InChIKeyUFUFYORHORQOON-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.25
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid

5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid (PubChem CID 65171065) has the molecular formula C9H10ClNO3S2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid
PubChem CID65171065
Molecular FormulaC9H10ClNO3S2
Molecular Weight279.77 g/mol
Exact Mass278.98
IUPAC Name5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid
SMILESO=C(O)C1CS(=O)CC(c2ccc(Cl)s2)N1
InChIInChI=1S/C9H10ClNO3S2/c10-8-2-1-7(15-8)5-3-16(14)4-6(11-5)9(12)13/h1-2,5-6,11H,3-4H2,(H,12,13)
InChIKeyUFUFYORHORQOON-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid (CID 65171065) is 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid is O=C(O)C1CS(=O)CC(c2ccc(Cl)s2)N1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid?
The InChIKey is UFUFYORHORQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S2/c10-8-2-1-7(15-8)5-3-16(14)4-6(11-5)9(12)13/h1-2,5-6,11H,3-4H2,(H,12,13).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid has a molecular weight of 279.77 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid is sourced from PubChem (CID 65171065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).