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

C12H20N2O4S2 — CID 103414261

IUPAC4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid
SMILESCCC(CCNS(=O)(=O)c1cnc(C)s1)CCC(=O)O
InChIInChI=1S/C12H20N2O4S2/c1-3-10(4-5-11(15)16)6-7-14-20(17,18)12-8-13-9(2)19-12/h8,10,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyQTQGOROBACPJDP-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.01
Rot. Bonds9

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

4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid (PubChem CID 103414261) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid
PubChem CID103414261
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid
SMILESCCC(CCNS(=O)(=O)c1cnc(C)s1)CCC(=O)O
InChIInChI=1S/C12H20N2O4S2/c1-3-10(4-5-11(15)16)6-7-14-20(17,18)12-8-13-9(2)19-12/h8,10,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyQTQGOROBACPJDP-UHFFFAOYSA-N
XLogP2.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid (CID 103414261) is 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid is CCC(CCNS(=O)(=O)c1cnc(C)s1)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
The InChIKey is QTQGOROBACPJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-3-10(4-5-11(15)16)6-7-14-20(17,18)12-8-13-9(2)19-12/h8,10,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid?
4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid has a molecular weight of 320.44 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 103414261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).