4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid

C12H24N2O5S — CID 66253595

IUPAC4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C1COCC1C(=O)O)S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H24N2O5S/c1-4-7-14(20(17,18)13(5-2)6-3)11-9-19-8-10(11)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyQZQSPYRUMLAYTA-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.38
Rot. Bonds8

About 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid

4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66253595) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66253595
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C1COCC1C(=O)O)S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H24N2O5S/c1-4-7-14(20(17,18)13(5-2)6-3)11-9-19-8-10(11)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyQZQSPYRUMLAYTA-UHFFFAOYSA-N
XLogP0.38
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252056
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[(3-bromothiophen-2-yl)sulfonyl-propylamino]oxolane-3-carboxylic acid
CID 66253020
4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236778
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
CID 114462823
4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245653
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901

Frequently Asked Questions

What is the IUPAC name of 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid (CID 66253595) is 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C1COCC1C(=O)O)S(=O)(=O)N(CC)CC.
What is the InChIKey of 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QZQSPYRUMLAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-4-7-14(20(17,18)13(5-2)6-3)11-9-19-8-10(11)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid?
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).