1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid

C10H15N3O5S2 — CID 106379561

IUPAC1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C10H15N3O5S2/c14-9(15)7-1-3-13(4-2-7)20(17,18)11-5-8-6-19-10(16)12-8/h6-7,11H,1-5H2,(H,12,16)(H,14,15)
InChIKeyQHUYQCRQYVSKQX-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.43
Rot. Bonds5

About 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid

1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 106379561) has the molecular formula C10H15N3O5S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID106379561
Molecular FormulaC10H15N3O5S2
Molecular Weight321.38 g/mol
Exact Mass321.05
IUPAC Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C10H15N3O5S2/c14-9(15)7-1-3-13(4-2-7)20(17,18)11-5-8-6-19-10(16)12-8/h6-7,11H,1-5H2,(H,12,16)(H,14,15)
InChIKeyQHUYQCRQYVSKQX-UHFFFAOYSA-N
XLogP-0.43
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid (CID 106379561) is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is QHUYQCRQYVSKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S2/c14-9(15)7-1-3-13(4-2-7)20(17,18)11-5-8-6-19-10(16)12-8/h6-7,11H,1-5H2,(H,12,16)(H,14,15).
What are the key properties of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106379561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).