4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid

C9H17NO4S — CID 60952477

IUPAC4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(CC1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-10(7-8-4-5-8)15(13,14)6-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyIRAYEIJOJRDALA-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds7

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

4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid (PubChem CID 60952477) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid
PubChem CID60952477
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(CC1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-10(7-8-4-5-8)15(13,14)6-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyIRAYEIJOJRDALA-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
2-[Butyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 59634323
2-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
2-[Butyl(methanidyl)sulfamoyl]propanoic acid;ethane;yttrium
CID 161810266
3-(Diethylsulfamoyl)-2-methylpropanoic acid
CID 24253496
4-(Diethylsulfamoyl)butanoic acid
CID 28513641
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
3-[Butyl(methyl)sulfamoyl]propanoic acid
CID 28514234
4-[Butyl(ethyl)sulfamoyl]butanoic acid
CID 28773927

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid (CID 60952477) is 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid is CN(CC1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is IRAYEIJOJRDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-10(7-8-4-5-8)15(13,14)6-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid?
4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60952477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).