4-(ethylsulfamoylamino)butanoic acid

C6H14N2O4S — CID 115776528

IUPAC4-(ethylsulfamoylamino)butanoic acid
SMILESCCNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-2-7-13(11,12)8-5-3-4-6(9)10/h7-8H,2-5H2,1H3,(H,9,10)
InChIKeyWNLSNLCZNZNJDU-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.70
Rot. Bonds7

About 4-(ethylsulfamoylamino)butanoic acid

4-(ethylsulfamoylamino)butanoic acid (PubChem CID 115776528) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(ethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(ethylsulfamoylamino)butanoic acid
PubChem CID115776528
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name4-(ethylsulfamoylamino)butanoic acid
SMILESCCNS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-2-7-13(11,12)8-5-3-4-6(9)10/h7-8H,2-5H2,1H3,(H,9,10)
InChIKeyWNLSNLCZNZNJDU-UHFFFAOYSA-N
XLogP-0.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.70
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
4-(2,2,2-Trifluoroethylsulfamoylamino)butanoic acid
CID 114805170
2-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806704
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806731
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;azane
CID 87254464
(2S)-2-amino-4-(sulfamoylamino)butanoic acid
CID 87289524

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(ethylsulfamoylamino)butanoic acid (CID 115776528) is 4-(ethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(ethylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(ethylsulfamoylamino)butanoic acid is CCNS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(ethylsulfamoylamino)butanoic acid?
The InChIKey is WNLSNLCZNZNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-2-7-13(11,12)8-5-3-4-6(9)10/h7-8H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-(ethylsulfamoylamino)butanoic acid?
4-(ethylsulfamoylamino)butanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 115776528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).