3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid

C11H17N3O4S2 — CID 60869218

IUPAC3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)N2CCCCC2C)c1C(=O)O
InChIInChI=1S/C11H17N3O4S2/c1-7-5-3-4-6-14(7)20(17,18)13-10-9(11(15)16)8(2)12-19-10/h7,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyKSRQKSUHRKFUHS-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.68
Rot. Bonds4

About 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid (PubChem CID 60869218) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
PubChem CID60869218
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)N2CCCCC2C)c1C(=O)O
InChIInChI=1S/C11H17N3O4S2/c1-7-5-3-4-6-14(7)20(17,18)13-10-9(11(15)16)8(2)12-19-10/h7,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyKSRQKSUHRKFUHS-UHFFFAOYSA-N
XLogP1.68
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid (CID 60869218) is 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)N2CCCCC2C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is KSRQKSUHRKFUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-7-5-3-4-6-14(7)20(17,18)13-10-9(11(15)16)8(2)12-19-10/h7,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 319.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).