4-[cyclopropyl(methyl)sulfamoyl]butanoic acid

C8H15NO4S — CID 43264863

IUPAC4-[cyclopropyl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H15NO4S/c1-9(7-4-5-7)14(12,13)6-2-3-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDBHCIKBOQOUKFW-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds6

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

4-[cyclopropyl(methyl)sulfamoyl]butanoic acid (PubChem CID 43264863) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]butanoic acid
PubChem CID43264863
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H15NO4S/c1-9(7-4-5-7)14(12,13)6-2-3-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDBHCIKBOQOUKFW-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-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61605733
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[(2S)-2-methylaziridin-1-yl]sulfonylpropanoic acid
CID 157905125
3-[(2R)-2-methylaziridin-1-yl]sulfonylpropanoic acid
CID 157905126
4-(Diethylsulfamoyl)butanoic acid
CID 28513641
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
3-[Methyl(propan-2-yl)sulfamoyl]propanoic acid
CID 28773533
4-[Methyl(propan-2-yl)sulfamoyl]butanoic acid
CID 28773535
4-[Butyl(ethyl)sulfamoyl]butanoic acid
CID 28773927
4-(Dibutylsulfamoyl)butanoic acid
CID 28982447

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid (CID 43264863) is 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid is CN(C1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is DBHCIKBOQOUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-9(7-4-5-7)14(12,13)6-2-3-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid?
4-[cyclopropyl(methyl)sulfamoyl]butanoic 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 4-[cyclopropyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43264863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).