5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid

C9H16N2O6S — CID 102687669

IUPAC5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C9H16N2O6S/c1-18(15,16)11-5-4-10-8(12)6-2-3-7(17-6)9(13)14/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyYOAMLYCOCWEFBC-UHFFFAOYSA-N
MW280.30 g/mol
LogP-1.72
Rot. Bonds6

About 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid

5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687669) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102687669
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C9H16N2O6S/c1-18(15,16)11-5-4-10-8(12)6-2-3-7(17-6)9(13)14/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyYOAMLYCOCWEFBC-UHFFFAOYSA-N
XLogP-1.72
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976004
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43546075
(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945764
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688459
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102687669) is 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid is CS(=O)(=O)NCCNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is YOAMLYCOCWEFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-18(15,16)11-5-4-10-8(12)6-2-3-7(17-6)9(13)14/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid?
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of -1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).