4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid

C10H19NO5S — CID 54876137

IUPAC4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid
SMILESCOCCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO5S/c1-16-7-6-11(9-4-5-9)17(14,15)8-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyKJRFOTZHDSTMSJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds9

About 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid

4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid (PubChem CID 54876137) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid
PubChem CID54876137
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid
SMILESCOCCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO5S/c1-16-7-6-11(9-4-5-9)17(14,15)8-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyKJRFOTZHDSTMSJ-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid (CID 54876137) is 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid is COCCN(C1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid?
The InChIKey is KJRFOTZHDSTMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-16-7-6-11(9-4-5-9)17(14,15)8-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid?
4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54876137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).