2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C9H16N2O5S — CID 120976004

IUPAC2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-17(15,16)11-5-4-10-8(12)6-2-3-7(6)9(13)14/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyAUVCPWUJNJLEPH-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.24
Rot. Bonds6

About 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976004) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976004
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-17(15,16)11-5-4-10-8(12)6-2-3-7(6)9(13)14/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyAUVCPWUJNJLEPH-UHFFFAOYSA-N
XLogP-1.24
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43546075
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975213
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836137
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
CID 94816215
2-(3-methylsulfanylpropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974758
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976004) is 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid is CS(=O)(=O)NCCNC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AUVCPWUJNJLEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-17(15,16)11-5-4-10-8(12)6-2-3-7(6)9(13)14/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of -1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).