4-[cyclopropyl(propyl)sulfamoyl]butanoic acid

C10H19NO4S — CID 43270295

IUPAC4-[cyclopropyl(propyl)sulfamoyl]butanoic acid
SMILESCCCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-7-11(9-5-6-9)16(14,15)8-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyQTNMFACATIDSRE-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.06
Rot. Bonds8

About 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid

4-[cyclopropyl(propyl)sulfamoyl]butanoic acid (PubChem CID 43270295) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)sulfamoyl]butanoic acid
PubChem CID43270295
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[cyclopropyl(propyl)sulfamoyl]butanoic acid
SMILESCCCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-7-11(9-5-6-9)16(14,15)8-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyQTNMFACATIDSRE-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
4-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952152
4-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952310
3-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61605733
3-[Ethyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068328
2-[Di(butan-2-yl)sulfamoyl]acetic acid
CID 18988670
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid (CID 43270295) is 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid is CCCN(C1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid?
The InChIKey is QTNMFACATIDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-7-11(9-5-6-9)16(14,15)8-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid?
4-[cyclopropyl(propyl)sulfamoyl]butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43270295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).