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

C11H20N2O5S — CID 43546075

IUPAC2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-19(17,18)13-7-6-12-10(14)8-4-2-3-5-9(8)11(15)16/h8-9,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyAZBIAUVKYQIUKU-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.46
Rot. Bonds6

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

2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 43546075) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID43546075
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-19(17,18)13-7-6-12-10(14)8-4-2-3-5-9(8)11(15)16/h8-9,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyAZBIAUVKYQIUKU-UHFFFAOYSA-N
XLogP-0.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.46
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]cyclobutane-1-carboxylic acid
CID 120976004
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide
CID 64564371
(2R)-N-[2-(methanesulfonamido)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119704335
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-3-carboxamide
CID 114175575

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 43546075) is 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CS(=O)(=O)NCCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is AZBIAUVKYQIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-19(17,18)13-7-6-12-10(14)8-4-2-3-5-9(8)11(15)16/h8-9,13H,2-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.46, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43546075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).