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

C11H21NO5S — CID 66253214

IUPAC4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C1COCC1C(=O)O)S(=O)(=O)CCC
InChIInChI=1S/C11H21NO5S/c1-3-5-12(18(15,16)6-4-2)10-8-17-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyATLMURPTPSAORN-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.54
Rot. Bonds7

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

4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66253214) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
PubChem CID66253214
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C1COCC1C(=O)O)S(=O)(=O)CCC
InChIInChI=1S/C11H21NO5S/c1-3-5-12(18(15,16)6-4-2)10-8-17-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyATLMURPTPSAORN-UHFFFAOYSA-N
XLogP0.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252056
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-bromothiophen-2-yl)sulfonyl-propylamino]oxolane-3-carboxylic acid
CID 66253020
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236778
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid (CID 66253214) is 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid is CCCN(C1COCC1C(=O)O)S(=O)(=O)CCC.
What is the InChIKey of 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ATLMURPTPSAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-5-12(18(15,16)6-4-2)10-8-17-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid?
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).