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

C11H16N2O5S — CID 43163288

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N2O5S/c1-7-9(8(2)18-12-7)19(16,17)13-11(10(14)15)5-3-4-6-11/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKTWHCWMXWNQQMX-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.97
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 43163288) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID43163288
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N2O5S/c1-7-9(8(2)18-12-7)19(16,17)13-11(10(14)15)5-3-4-6-11/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKTWHCWMXWNQQMX-UHFFFAOYSA-N
XLogP0.97
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 43163288) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1noc(C)c1S(=O)(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KTWHCWMXWNQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-9(8(2)18-12-7)19(16,17)13-11(10(14)15)5-3-4-6-11/h13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43163288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).