sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate

C6H13NaO4S — CID 174786184

IUPACsodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate
SMILESC=CCOS(=O)(=O)CC(C)O.[H-].[Na+]
InChIInChI=1S/C6H12O4S.Na.H/c1-3-4-10-11(8,9)5-6(2)7;;/h3,6-7H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyDHQMMJCZULGJPH-UHFFFAOYSA-N
MW204.22 g/mol
LogP-2.98
Rot. Bonds5

About sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate

sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate (PubChem CID 174786184) has the molecular formula C6H13NaO4S and a molecular weight of 204.22 g/mol. Its IUPAC name is sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate.

Molecular Properties

Compound Namesodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate
PubChem CID174786184
Molecular FormulaC6H13NaO4S
Molecular Weight204.22 g/mol
Exact Mass204.04
IUPAC Namesodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate
SMILESC=CCOS(=O)(=O)CC(C)O.[H-].[Na+]
InChIInChI=1S/C6H12O4S.Na.H/c1-3-4-10-11(8,9)5-6(2)7;;/h3,6-7H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyDHQMMJCZULGJPH-UHFFFAOYSA-N
XLogP-2.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate?
The IUPAC name of sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate (CID 174786184) is sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate.
What is the SMILES notation for sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate?
The canonical SMILES for sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate is C=CCOS(=O)(=O)CC(C)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate?
The InChIKey is DHQMMJCZULGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S.Na.H/c1-3-4-10-11(8,9)5-6(2)7;;/h3,6-7H,1,4-5H2,2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate?
sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate has a molecular weight of 204.22 g/mol, XLogP of -2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;prop-2-enyl 2-hydroxypropane-1-sulfonate is sourced from PubChem (CID 174786184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).