3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C11H16N2O4S2 — CID 103414220

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1ncc(S(=O)(=O)NC2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N2O4S2/c1-7-12-6-10(18-7)19(16,17)13-9-4-2-3-8(5-9)11(14)15/h6,8-9,13H,2-5H2,1H3,(H,14,15)
InChIKeyXRVJLGQRIOCJQL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.37
Rot. Bonds4

About 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid

3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 103414220) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID103414220
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1ncc(S(=O)(=O)NC2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N2O4S2/c1-7-12-6-10(18-7)19(16,17)13-9-4-2-3-8(5-9)11(14)15/h6,8-9,13H,2-5H2,1H3,(H,14,15)
InChIKeyXRVJLGQRIOCJQL-UHFFFAOYSA-N
XLogP1.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 103414220) is 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1ncc(S(=O)(=O)NC2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is XRVJLGQRIOCJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7-12-6-10(18-7)19(16,17)13-9-4-2-3-8(5-9)11(14)15/h6,8-9,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103414220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).