4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid

C11H22N2O4S — CID 43209551

IUPAC4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
SMILESCCN1CCCC1CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-2-13-7-3-5-10(13)9-12-18(16,17)8-4-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyKVDHRDCMONRNAT-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.25
Rot. Bonds8

About 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid

4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid (PubChem CID 43209551) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
PubChem CID43209551
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
SMILESCCN1CCCC1CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-2-13-7-3-5-10(13)9-12-18(16,17)8-4-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyKVDHRDCMONRNAT-UHFFFAOYSA-N
XLogP0.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 43654453
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447348
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511064
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111783502
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid (CID 43209551) is 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid is CCN1CCCC1CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid?
The InChIKey is KVDHRDCMONRNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-13-7-3-5-10(13)9-12-18(16,17)8-4-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid?
4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 43209551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).