4-(propylsulfamoylamino)butanoic acid

C7H16N2O4S — CID 114805168

IUPAC4-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-2-5-8-14(12,13)9-6-3-4-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyAHVUQIFJSYNHOB-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.31
Rot. Bonds8

About 4-(propylsulfamoylamino)butanoic acid

4-(propylsulfamoylamino)butanoic acid (PubChem CID 114805168) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(propylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(propylsulfamoylamino)butanoic acid
PubChem CID114805168
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-2-5-8-14(12,13)9-6-3-4-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyAHVUQIFJSYNHOB-UHFFFAOYSA-N
XLogP-0.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Sulfoamino)butanoic acid
CID 71349511
N-(N-sulfanyl)-4-aminobutyric acid
CID 129761304
4-[(Methylsulfonyl)amino]butanoic acid
CID 7446982
Bis(4-aminobutanoic acid);hydrate
CID 137366982
4-Aminobutanoic acid;pentahydrate
CID 71376920
4-(2,2,2-Trifluoroethylsulfamoylamino)butanoic acid
CID 114805170
CID 21864380
CID 21864380
1-Hydroxy-1-oxo-4-(sulfinatoamino)butane
CID 57148276
4-(Sulfinoamino)butanoic acid
CID 57148277
4-Aminobutyric acid ethyl carboxylate
CID 86613302
4-(2,2-Dimethylpropoxysulfonylamino)butanoic acid
CID 87178839
4-Aminobutanoic acid;butanoic acid
CID 87189909

Frequently Asked Questions

What is the IUPAC name of 4-(propylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(propylsulfamoylamino)butanoic acid (CID 114805168) is 4-(propylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(propylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(propylsulfamoylamino)butanoic acid is CCCNS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(propylsulfamoylamino)butanoic acid?
The InChIKey is AHVUQIFJSYNHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-2-5-8-14(12,13)9-6-3-4-7(10)11/h8-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-(propylsulfamoylamino)butanoic acid?
4-(propylsulfamoylamino)butanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114805168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).