strontium bis(3-aminopropane-1-sulfonate)

C6H16N2O6S2Sr — CID 87367236

IUPACstrontium bis(3-aminopropane-1-sulfonate)
SMILESNCCCS(=O)(=O)[O-].NCCCS(=O)(=O)[O-].[Sr+2]
InChIInChI=1S/2C3H9NO3S.Sr/c2*4-2-1-3-8(5,6)7;/h2*1-4H2,(H,5,6,7);/q;;+2/p-2
InChIKeyHARNMGSFABHUPB-UHFFFAOYSA-L
MW363.96 g/mol
LogP-2.62
Rot. Bonds6

About strontium bis(3-aminopropane-1-sulfonate)

strontium bis(3-aminopropane-1-sulfonate) (PubChem CID 87367236) has the molecular formula C6H16N2O6S2Sr and a molecular weight of 363.96 g/mol. Its IUPAC name is strontium bis(3-aminopropane-1-sulfonate).

Molecular Properties

Compound Namestrontium bis(3-aminopropane-1-sulfonate)
PubChem CID87367236
Molecular FormulaC6H16N2O6S2Sr
Molecular Weight363.96 g/mol
Exact Mass363.95
IUPAC Namestrontium bis(3-aminopropane-1-sulfonate)
SMILESNCCCS(=O)(=O)[O-].NCCCS(=O)(=O)[O-].[Sr+2]
InChIInChI=1S/2C3H9NO3S.Sr/c2*4-2-1-3-8(5,6)7;/h2*1-4H2,(H,5,6,7);/q;;+2/p-2
InChIKeyHARNMGSFABHUPB-UHFFFAOYSA-L
XLogP-2.62
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 5-2.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

lithium 3-aminopropane-1-sulfonate
CID 118523249
potassium 5-aminopentane-1-sulfonate
CID 139697240
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
strontium ethane-1,2-disulfonate
CID 87366284
disodium;decane-1,10-disulfonate
CID 87519177
dilithium;ethane-1,2-disulfonate
CID 87246309
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
dialuminum;bis(hexane-1,6-diamine);trisulfate
CID 173360259
sodium 2-(2-aminoethylamino)ethanesulfonate
CID 23686675
5-fluoropentane-1-sulfonate
CID 20976710
strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625

Frequently Asked Questions

What is the IUPAC name of strontium bis(3-aminopropane-1-sulfonate)?
The IUPAC name of strontium bis(3-aminopropane-1-sulfonate) (CID 87367236) is strontium bis(3-aminopropane-1-sulfonate).
What is the SMILES notation for strontium bis(3-aminopropane-1-sulfonate)?
The canonical SMILES for strontium bis(3-aminopropane-1-sulfonate) is NCCCS(=O)(=O)[O-].NCCCS(=O)(=O)[O-].[Sr+2].
What is the InChIKey of strontium bis(3-aminopropane-1-sulfonate)?
The InChIKey is HARNMGSFABHUPB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H9NO3S.Sr/c2*4-2-1-3-8(5,6)7;/h2*1-4H2,(H,5,6,7);/q;;+2/p-2.
What are the key properties of strontium bis(3-aminopropane-1-sulfonate)?
strontium bis(3-aminopropane-1-sulfonate) has a molecular weight of 363.96 g/mol, XLogP of -2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(3-aminopropane-1-sulfonate) is sourced from PubChem (CID 87367236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).