4-(3-methoxypropylsulfamoyl)butanoic acid

C8H17NO5S — CID 28513471

IUPAC4-(3-methoxypropylsulfamoyl)butanoic acid
SMILESCOCCCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-14-6-3-5-9-15(12,13)7-2-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyUAPSLKWXCXZHCX-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.19
Rot. Bonds9

About 4-(3-methoxypropylsulfamoyl)butanoic acid

4-(3-methoxypropylsulfamoyl)butanoic acid (PubChem CID 28513471) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxypropylsulfamoyl)butanoic acid
PubChem CID28513471
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name4-(3-methoxypropylsulfamoyl)butanoic acid
SMILESCOCCCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-14-6-3-5-9-15(12,13)7-2-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyUAPSLKWXCXZHCX-UHFFFAOYSA-N
XLogP-0.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509
7-(butylsulfonylamino)heptanoic acid
CID 24704780
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]butanoic acid
CID 114518052
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
11-(octylsulfonylamino)undecanoic acid
CID 4605614
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfamoyl)butanoic acid?
The IUPAC name of 4-(3-methoxypropylsulfamoyl)butanoic acid (CID 28513471) is 4-(3-methoxypropylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(3-methoxypropylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(3-methoxypropylsulfamoyl)butanoic acid is COCCCNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(3-methoxypropylsulfamoyl)butanoic acid?
The InChIKey is UAPSLKWXCXZHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-14-6-3-5-9-15(12,13)7-2-4-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 4-(3-methoxypropylsulfamoyl)butanoic acid?
4-(3-methoxypropylsulfamoyl)butanoic acid has a molecular weight of 239.29 g/mol, XLogP of -0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfamoyl)butanoic acid is sourced from PubChem (CID 28513471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).