lithium;hydride;3-methylbutane-1-sulfonic acid

C5H13LiO3S — CID 174653708

IUPAClithium;hydride;3-methylbutane-1-sulfonic acid
SMILESCC(C)CCS(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C5H12O3S.Li.H/c1-5(2)3-4-9(6,7)8;;/h5H,3-4H2,1-2H3,(H,6,7,8);;/q;+1;-1
InChIKeyUGEJIPRIPSPGLG-UHFFFAOYSA-N
MW160.16 g/mol
LogP-1.96
Rot. Bonds3

About lithium;hydride;3-methylbutane-1-sulfonic acid

lithium;hydride;3-methylbutane-1-sulfonic acid (PubChem CID 174653708) has the molecular formula C5H13LiO3S and a molecular weight of 160.16 g/mol. Its IUPAC name is lithium;hydride;3-methylbutane-1-sulfonic acid.

Molecular Properties

Compound Namelithium;hydride;3-methylbutane-1-sulfonic acid
PubChem CID174653708
Molecular FormulaC5H13LiO3S
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Namelithium;hydride;3-methylbutane-1-sulfonic acid
SMILESCC(C)CCS(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C5H12O3S.Li.H/c1-5(2)3-4-9(6,7)8;;/h5H,3-4H2,1-2H3,(H,6,7,8);;/q;+1;-1
InChIKeyUGEJIPRIPSPGLG-UHFFFAOYSA-N
XLogP-1.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 5-1.96
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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Related Compounds

CID 87787087
CID 87787087
16-methylheptadecane-1-sulfonic acid
CID 19380804
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
2-methylbutane-1,4-disulfonic acid
CID 23460781
3-(4-sulfobutan-2-yloxy)butane-1-sulfonic acid
CID 87151514
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699
3-methylhexane-1,6-disulfonic acid
CID 172692648
3-methyl-1-methylsulfonylbutane
CID 20712453
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
3-ethoxybutane-1-sulfonic acid
CID 89375212
4,6-dimethylheptane-1-sulfonic acid
CID 90030626
lithium 3-methylbutane-1-sulfonate
CID 122481809

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;3-methylbutane-1-sulfonic acid?
The IUPAC name of lithium;hydride;3-methylbutane-1-sulfonic acid (CID 174653708) is lithium;hydride;3-methylbutane-1-sulfonic acid.
What is the SMILES notation for lithium;hydride;3-methylbutane-1-sulfonic acid?
The canonical SMILES for lithium;hydride;3-methylbutane-1-sulfonic acid is CC(C)CCS(=O)(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;3-methylbutane-1-sulfonic acid?
The InChIKey is UGEJIPRIPSPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S.Li.H/c1-5(2)3-4-9(6,7)8;;/h5H,3-4H2,1-2H3,(H,6,7,8);;/q;+1;-1.
What are the key properties of lithium;hydride;3-methylbutane-1-sulfonic acid?
lithium;hydride;3-methylbutane-1-sulfonic acid has a molecular weight of 160.16 g/mol, XLogP of -1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;3-methylbutane-1-sulfonic acid is sourced from PubChem (CID 174653708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).