4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid

C11H22N2O5S — CID 66245265

IUPAC4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O5S/c1-5-13(19(16,17)12(4)8(2)3)10-7-18-6-9(10)11(14)15/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyLDLFHKFOJDOTEE-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.01
Rot. Bonds6

About 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66245265) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66245265
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O5S/c1-5-13(19(16,17)12(4)8(2)3)10-7-18-6-9(10)11(14)15/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyLDLFHKFOJDOTEE-UHFFFAOYSA-N
XLogP-0.01
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
CID 114462823
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245653
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245064
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236778
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66247039

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid (CID 66245265) is 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LDLFHKFOJDOTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-5-13(19(16,17)12(4)8(2)3)10-7-18-6-9(10)11(14)15/h8-10H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).