sodium;4-aminobutane-1-sulfonic acid;hydride

C4H12NNaO3S — CID 173095969

IUPACsodium;4-aminobutane-1-sulfonic acid;hydride
SMILESNCCCCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H11NO3S.Na.H/c5-3-1-2-4-9(6,7)8;;/h1-5H2,(H,6,7,8);;/q;+1;-1
InChIKeyQYRIIKONKOAUKM-UHFFFAOYSA-N
MW177.20 g/mol
LogP-3.27
Rot. Bonds4

About sodium;4-aminobutane-1-sulfonic acid;hydride

sodium;4-aminobutane-1-sulfonic acid;hydride (PubChem CID 173095969) has the molecular formula C4H12NNaO3S and a molecular weight of 177.20 g/mol. Its IUPAC name is sodium;4-aminobutane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-aminobutane-1-sulfonic acid;hydride
PubChem CID173095969
Molecular FormulaC4H12NNaO3S
Molecular Weight177.20 g/mol
Exact Mass177.04
IUPAC Namesodium;4-aminobutane-1-sulfonic acid;hydride
SMILESNCCCCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H11NO3S.Na.H/c5-3-1-2-4-9(6,7)8;;/h1-5H2,(H,6,7,8);;/q;+1;-1
InChIKeyQYRIIKONKOAUKM-UHFFFAOYSA-N
XLogP-3.27
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625
4-aminobutane-1-sulfonic acid;butane
CID 172845680
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895
sodium;4-fluorobutane-1-sulfonic acid;hydride
CID 173211362
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
octane-1,8-disulfonic acid
CID 18172926
butan-1-amine;butane-1-sulfonic acid
CID 159596824

Frequently Asked Questions

What is the IUPAC name of sodium;4-aminobutane-1-sulfonic acid;hydride?
The IUPAC name of sodium;4-aminobutane-1-sulfonic acid;hydride (CID 173095969) is sodium;4-aminobutane-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;4-aminobutane-1-sulfonic acid;hydride?
The canonical SMILES for sodium;4-aminobutane-1-sulfonic acid;hydride is NCCCCS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;4-aminobutane-1-sulfonic acid;hydride?
The InChIKey is QYRIIKONKOAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.Na.H/c5-3-1-2-4-9(6,7)8;;/h1-5H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;4-aminobutane-1-sulfonic acid;hydride?
sodium;4-aminobutane-1-sulfonic acid;hydride has a molecular weight of 177.20 g/mol, XLogP of -3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-aminobutane-1-sulfonic acid;hydride is sourced from PubChem (CID 173095969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).