4-[butyl(cyclopropyl)sulfamoyl]butanoic acid

C11H21NO4S — CID 60951287

IUPAC4-[butyl(cyclopropyl)sulfamoyl]butanoic acid
SMILESCCCCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-2-3-8-12(10-6-7-10)17(15,16)9-4-5-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyFEMJJFUMTDNWRF-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.45
Rot. Bonds9

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

4-[butyl(cyclopropyl)sulfamoyl]butanoic acid (PubChem CID 60951287) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[butyl(cyclopropyl)sulfamoyl]butanoic acid
PubChem CID60951287
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[butyl(cyclopropyl)sulfamoyl]butanoic acid
SMILESCCCCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-2-3-8-12(10-6-7-10)17(15,16)9-4-5-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyFEMJJFUMTDNWRF-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
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-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952310
4-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83067801
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
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid (CID 60951287) is 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid is CCCCN(C1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid?
The InChIKey is FEMJJFUMTDNWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-8-12(10-6-7-10)17(15,16)9-4-5-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid?
4-[butyl(cyclopropyl)sulfamoyl]butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(cyclopropyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60951287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).