4-[methyl(propylsulfamoyl)amino]butanoic acid

C8H18N2O4S — CID 114805416

IUPAC4-[methyl(propylsulfamoyl)amino]butanoic acid
SMILESCCCNS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-6-9-15(13,14)10(2)7-4-5-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDGHBINWBNPXGAW-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.03
Rot. Bonds8

About 4-[methyl(propylsulfamoyl)amino]butanoic acid

4-[methyl(propylsulfamoyl)amino]butanoic acid (PubChem CID 114805416) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[methyl(propylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(propylsulfamoyl)amino]butanoic acid
PubChem CID114805416
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name4-[methyl(propylsulfamoyl)amino]butanoic acid
SMILESCCCNS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-6-9-15(13,14)10(2)7-4-5-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDGHBINWBNPXGAW-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
(2S)-2-amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123897
(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
CID 89123898
2-Amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123899
(2S)-2-amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124191
2-Amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124193
4-(Aziridin-1-ylsulfonylamino)butanoic acid
CID 130470207
CID 141884320
CID 141884320
Ethane;4-(methylamino)butanoic acid
CID 142583477
4-(3-Carboxypropylamino)butanoic acid;ethane
CID 143528218

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propylsulfamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(propylsulfamoyl)amino]butanoic acid (CID 114805416) is 4-[methyl(propylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(propylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(propylsulfamoyl)amino]butanoic acid is CCCNS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(propylsulfamoyl)amino]butanoic acid?
The InChIKey is DGHBINWBNPXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-6-9-15(13,14)10(2)7-4-5-8(11)12/h9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-[methyl(propylsulfamoyl)amino]butanoic acid?
4-[methyl(propylsulfamoyl)amino]butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 114805416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).