2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid

C11H16N2O5S2 — CID 106742427

IUPAC2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H16N2O5S2/c1-6-5-8(9(14)15)3-4-13(6)20(17,18)10-7(2)12-11(16)19-10/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRMJZGVFDRFVHCH-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.62
Rot. Bonds3

About 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid

2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid (PubChem CID 106742427) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
PubChem CID106742427
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H16N2O5S2/c1-6-5-8(9(14)15)3-4-13(6)20(17,18)10-7(2)12-11(16)19-10/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRMJZGVFDRFVHCH-UHFFFAOYSA-N
XLogP0.62
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid (CID 106742427) is 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
The InChIKey is RMJZGVFDRFVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-6-5-8(9(14)15)3-4-13(6)20(17,18)10-7(2)12-11(16)19-10/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid?
2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106742427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).