3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid

C8H15NO4S — CID 43264093

IUPAC3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid
SMILESCCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-9(7-3-4-7)14(12,13)6-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBCNJGKPFRDIRCY-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds6

About 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid

3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid (PubChem CID 43264093) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid
PubChem CID43264093
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid
SMILESCCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-9(7-3-4-7)14(12,13)6-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBCNJGKPFRDIRCY-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
3-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951175
3-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952311
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457800
2-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457946
3-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61605733
3-[Cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068100
2-[Di(butan-2-yl)sulfamoyl]acetic acid
CID 18988670
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
2-[Methyl(propan-2-yl)sulfamoyl]acetic acid
CID 28773537

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid (CID 43264093) is 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid is CCN(C1CC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid?
The InChIKey is BCNJGKPFRDIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-9(7-3-4-7)14(12,13)6-5-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid?
3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43264093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).