4-(ethenylsulfonylamino)butanoic acid

C6H11NO4S — CID 155931132

IUPAC4-(ethenylsulfonylamino)butanoic acid
SMILESC=CS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C6H11NO4S/c1-2-12(10,11)7-5-3-4-6(8)9/h2,7H,1,3-5H2,(H,8,9)
InChIKeyPENNFULRSWVVGC-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.09
Rot. Bonds6

About 4-(ethenylsulfonylamino)butanoic acid

4-(ethenylsulfonylamino)butanoic acid (PubChem CID 155931132) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(ethenylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(ethenylsulfonylamino)butanoic acid
PubChem CID155931132
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name4-(ethenylsulfonylamino)butanoic acid
SMILESC=CS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C6H11NO4S/c1-2-12(10,11)7-5-3-4-6(8)9/h2,7H,1,3-5H2,(H,8,9)
InChIKeyPENNFULRSWVVGC-UHFFFAOYSA-N
XLogP-0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Methylsulfonyl)amino]butanoic acid
CID 7446982
4-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 120605755
4-(3-Fluoropropylsulfonylamino)butanoic acid
CID 120081507
4-(4-Fluorobutylsulfonylamino)butanoic acid
CID 121617567
4-(Butane-1-sulfonamido)butanoic acid
CID 16768947
4-Amino-2-sulfobutanoic acid
CID 20561413
4-Amino-3-sulfobutanoic acid
CID 20561417
4-(Propan-2-ylsulfonylamino)butanoic acid
CID 60858637
4-(Cyclopropylsulfonylamino)butanoic acid
CID 64552604
4-Amino-4-sulfobutanoic acid
CID 87843037
4-Amino-2-sulfobutanoic acid;hydrochloride
CID 141252248
1-Amino-4-hydroxy-4-oxobutane-1-sulfinate
CID 174436770

Frequently Asked Questions

What is the IUPAC name of 4-(ethenylsulfonylamino)butanoic acid?
The IUPAC name of 4-(ethenylsulfonylamino)butanoic acid (CID 155931132) is 4-(ethenylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(ethenylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(ethenylsulfonylamino)butanoic acid is C=CS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(ethenylsulfonylamino)butanoic acid?
The InChIKey is PENNFULRSWVVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-2-12(10,11)7-5-3-4-6(8)9/h2,7H,1,3-5H2,(H,8,9).
What are the key properties of 4-(ethenylsulfonylamino)butanoic acid?
4-(ethenylsulfonylamino)butanoic acid has a molecular weight of 193.22 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenylsulfonylamino)butanoic acid is sourced from PubChem (CID 155931132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).