4-(aziridin-1-ylsulfonylamino)butanoic acid

C6H12N2O4S — CID 130470207

IUPAC4-(aziridin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)N1CC1
InChIInChI=1S/C6H12N2O4S/c9-6(10)2-1-3-7-13(11,12)8-4-5-8/h7H,1-5H2,(H,9,10)
InChIKeyYNWWDMWZEYQZFO-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.00
Rot. Bonds6

About 4-(aziridin-1-ylsulfonylamino)butanoic acid

4-(aziridin-1-ylsulfonylamino)butanoic acid (PubChem CID 130470207) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(aziridin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(aziridin-1-ylsulfonylamino)butanoic acid
PubChem CID130470207
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name4-(aziridin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)N1CC1
InChIInChI=1S/C6H12N2O4S/c9-6(10)2-1-3-7-13(11,12)8-4-5-8/h7H,1-5H2,(H,9,10)
InChIKeyYNWWDMWZEYQZFO-UHFFFAOYSA-N
XLogP-1.00
TPSA86.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Sulfoamino)butanoic acid
CID 71349511
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-(Sulfamoylamino)butanoic acid
CID 24693646
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-(Cyclopropylsulfamoylamino)butanoic acid
CID 114517805
4-(Propylsulfamoylamino)butanoic acid
CID 114805168
4-(Methylsulfamoylamino)butanoic acid
CID 114805169
4-[Methyl(propylsulfamoyl)amino]butanoic acid
CID 114805416
4-[Methyl(methylsulfamoyl)amino]butanoic acid
CID 114805417
4-(Ethylsulfamoylamino)butanoic acid
CID 115776528
4-[Ethylsulfamoyl(methyl)amino]butanoic acid
CID 115776537

Frequently Asked Questions

What is the IUPAC name of 4-(aziridin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(aziridin-1-ylsulfonylamino)butanoic acid (CID 130470207) is 4-(aziridin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(aziridin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(aziridin-1-ylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)N1CC1.
What is the InChIKey of 4-(aziridin-1-ylsulfonylamino)butanoic acid?
The InChIKey is YNWWDMWZEYQZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c9-6(10)2-1-3-7-13(11,12)8-4-5-8/h7H,1-5H2,(H,9,10).
What are the key properties of 4-(aziridin-1-ylsulfonylamino)butanoic acid?
4-(aziridin-1-ylsulfonylamino)butanoic acid has a molecular weight of 208.24 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aziridin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 130470207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).