sodium;cyclohexene-1-sulfonic acid;hydride

C6H11NaO3S — CID 173436789

IUPACsodium;cyclohexene-1-sulfonic acid;hydride
SMILESO=S(=O)(O)C1=CCCCC1.[H-].[Na+]
InChIInChI=1S/C6H10O3S.Na.H/c7-10(8,9)6-4-2-1-3-5-6;;/h4H,1-3,5H2,(H,7,8,9);;/q;+1;-1
InChIKeyCCZBCMJPPMUMPD-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.55
Rot. Bonds1

About sodium;cyclohexene-1-sulfonic acid;hydride

sodium;cyclohexene-1-sulfonic acid;hydride (PubChem CID 173436789) has the molecular formula C6H11NaO3S and a molecular weight of 186.21 g/mol. Its IUPAC name is sodium;cyclohexene-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;cyclohexene-1-sulfonic acid;hydride
PubChem CID173436789
Molecular FormulaC6H11NaO3S
Molecular Weight186.21 g/mol
Exact Mass186.03
IUPAC Namesodium;cyclohexene-1-sulfonic acid;hydride
SMILESO=S(=O)(O)C1=CCCCC1.[H-].[Na+]
InChIInChI=1S/C6H10O3S.Na.H/c7-10(8,9)6-4-2-1-3-5-6;;/h4H,1-3,5H2,(H,7,8,9);;/q;+1;-1
InChIKeyCCZBCMJPPMUMPD-UHFFFAOYSA-N
XLogP-1.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;cyclohexene-1-sulfonic acid;hydride?
The IUPAC name of sodium;cyclohexene-1-sulfonic acid;hydride (CID 173436789) is sodium;cyclohexene-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;cyclohexene-1-sulfonic acid;hydride?
The canonical SMILES for sodium;cyclohexene-1-sulfonic acid;hydride is O=S(=O)(O)C1=CCCCC1.[H-].[Na+].
What is the InChIKey of sodium;cyclohexene-1-sulfonic acid;hydride?
The InChIKey is CCZBCMJPPMUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S.Na.H/c7-10(8,9)6-4-2-1-3-5-6;;/h4H,1-3,5H2,(H,7,8,9);;/q;+1;-1.
What are the key properties of sodium;cyclohexene-1-sulfonic acid;hydride?
sodium;cyclohexene-1-sulfonic acid;hydride has a molecular weight of 186.21 g/mol, XLogP of -1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclohexene-1-sulfonic acid;hydride is sourced from PubChem (CID 173436789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).