4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid

C11H18N2O4S2 — CID 103414260

IUPAC4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid
SMILESCc1ncc(S(=O)(=O)NCCC(C)CCC(=O)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-8(3-4-10(14)15)5-6-13-19(16,17)11-7-12-9(2)18-11/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFQICZLVEKGBDCH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.62
Rot. Bonds8

About 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid

4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid (PubChem CID 103414260) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid
PubChem CID103414260
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid
SMILESCc1ncc(S(=O)(=O)NCCC(C)CCC(=O)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-8(3-4-10(14)15)5-6-13-19(16,17)11-7-12-9(2)18-11/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFQICZLVEKGBDCH-UHFFFAOYSA-N
XLogP1.62
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid (CID 103414260) is 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid is Cc1ncc(S(=O)(=O)NCCC(C)CCC(=O)O)s1.
What is the InChIKey of 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
The InChIKey is FQICZLVEKGBDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-8(3-4-10(14)15)5-6-13-19(16,17)11-7-12-9(2)18-11/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid has a molecular weight of 306.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 103414260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).