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

C11H18N2O5S — CID 28783650

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H18N2O5S/c1-8-11(9(2)18-13-8)19(16,17)12-7-5-3-4-6-10(14)15/h12H,3-7H2,1-2H3,(H,14,15)
InChIKeySFSDPSDZCZBLTM-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.21
Rot. Bonds8

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

6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid (PubChem CID 28783650) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
PubChem CID28783650
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H18N2O5S/c1-8-11(9(2)18-13-8)19(16,17)12-7-5-3-4-6-10(14)15/h12H,3-7H2,1-2H3,(H,14,15)
InChIKeySFSDPSDZCZBLTM-UHFFFAOYSA-N
XLogP1.21
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid (CID 28783650) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid is Cc1noc(C)c1S(=O)(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
The InChIKey is SFSDPSDZCZBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-8-11(9(2)18-13-8)19(16,17)12-7-5-3-4-6-10(14)15/h12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid has a molecular weight of 290.34 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 28783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).