strontium;3-aminopropane-1-sulfonic acid;hydride

C3H11NO3SSr — CID 174544625

IUPACstrontium;3-aminopropane-1-sulfonic acid;hydride
SMILESNCCCS(=O)(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C3H9NO3S.Sr.2H/c4-2-1-3-8(5,6)7;;;/h1-4H2,(H,5,6,7);;;/q;+2;2*-1
InChIKeyIPMRHDNCPBCGJG-UHFFFAOYSA-N
MW228.81 g/mol
LogP-0.93
Rot. Bonds3

About strontium;3-aminopropane-1-sulfonic acid;hydride

strontium;3-aminopropane-1-sulfonic acid;hydride (PubChem CID 174544625) has the molecular formula C3H11NO3SSr and a molecular weight of 228.81 g/mol. Its IUPAC name is strontium;3-aminopropane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namestrontium;3-aminopropane-1-sulfonic acid;hydride
PubChem CID174544625
Molecular FormulaC3H11NO3SSr
Molecular Weight228.81 g/mol
Exact Mass228.95
IUPAC Namestrontium;3-aminopropane-1-sulfonic acid;hydride
SMILESNCCCS(=O)(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C3H9NO3S.Sr.2H/c4-2-1-3-8(5,6)7;;;/h1-4H2,(H,5,6,7);;;/q;+2;2*-1
InChIKeyIPMRHDNCPBCGJG-UHFFFAOYSA-N
XLogP-0.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.81
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895
sodium;4-aminobutane-1-sulfonic acid;hydride
CID 173095969
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
butan-1-amine;butane-1-sulfonic acid
CID 159596824
4-aminobutane-1-sulfonic acid;butane
CID 172845680
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
2-aminoethanesulfonic acid;iron
CID 174379186

Frequently Asked Questions

What is the IUPAC name of strontium;3-aminopropane-1-sulfonic acid;hydride?
The IUPAC name of strontium;3-aminopropane-1-sulfonic acid;hydride (CID 174544625) is strontium;3-aminopropane-1-sulfonic acid;hydride.
What is the SMILES notation for strontium;3-aminopropane-1-sulfonic acid;hydride?
The canonical SMILES for strontium;3-aminopropane-1-sulfonic acid;hydride is NCCCS(=O)(=O)O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;3-aminopropane-1-sulfonic acid;hydride?
The InChIKey is IPMRHDNCPBCGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.Sr.2H/c4-2-1-3-8(5,6)7;;;/h1-4H2,(H,5,6,7);;;/q;+2;2*-1.
What are the key properties of strontium;3-aminopropane-1-sulfonic acid;hydride?
strontium;3-aminopropane-1-sulfonic acid;hydride has a molecular weight of 228.81 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;3-aminopropane-1-sulfonic acid;hydride is sourced from PubChem (CID 174544625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).