2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid

C11H16N2O4S2 — CID 103414131

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid
SMILESCc1ncc(S(=O)(=O)N2CCCCC2CC(=O)O)s1
InChIInChI=1S/C11H16N2O4S2/c1-8-12-7-11(18-8)19(16,17)13-5-3-2-4-9(13)6-10(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyBSGBCBAOKKTBPG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.47
Rot. Bonds4

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid

2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid (PubChem CID 103414131) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid
PubChem CID103414131
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid
SMILESCc1ncc(S(=O)(=O)N2CCCCC2CC(=O)O)s1
InChIInChI=1S/C11H16N2O4S2/c1-8-12-7-11(18-8)19(16,17)13-5-3-2-4-9(13)6-10(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyBSGBCBAOKKTBPG-UHFFFAOYSA-N
XLogP1.47
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid (CID 103414131) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid is Cc1ncc(S(=O)(=O)N2CCCCC2CC(=O)O)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid?
The InChIKey is BSGBCBAOKKTBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-12-7-11(18-8)19(16,17)13-5-3-2-4-9(13)6-10(14)15/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid?
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 103414131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).