3-Pivaloylamino-1-propanesulfonic acid

HCID 11123727
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Basic information

CAS
736123-40-3
Standard SMILES
CC(C)(C)C(=O)NCCCS(=O)(=O)O
InChIKey
AWSWPLNLFDUJQW-UHFFFAOYSA-N
Molecular formula
C8H17NO4S
Average molar mass
223.29 g/mol
Monoisotopic mass
223.0878292

Names & identifiers

Preferred name
3-Pivaloylamino-1-propanesulfonic acid
IUPAC
3-(2,2-dimethylpropanoylamino)propane-1-sulfonic acid

Names & synonyms

3-pivaloylamino-1-propanesulfonic acid736123-40-3SCHEMBL918112DTXSID60456009AWSWPLNLFDUJQW-UHFFFAOYSA-N3-(2,2-DIMETHYLPROPANAMIDO)PROPANE-1-SULFONIC ACID

Database identifiers

CAS
736123-40-3
PubChem CID
11123727
DTXSID
DTXSID60456009

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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