lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid

C6H11LiO4S — CID 173147902

IUPAClithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)C1(C(=O)O)CCC1.[H-].[Li+]
InChIInChI=1S/C6H10O4S.Li.H/c1-11(9,10)6(5(7)8)3-2-4-6;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyIHPQWAKRPYGOCB-UHFFFAOYSA-N
MW186.16 g/mol
LogP-2.85
Rot. Bonds2

About lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid

lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid (PubChem CID 173147902) has the molecular formula C6H11LiO4S and a molecular weight of 186.16 g/mol. Its IUPAC name is lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid
PubChem CID173147902
Molecular FormulaC6H11LiO4S
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namelithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)C1(C(=O)O)CCC1.[H-].[Li+]
InChIInChI=1S/C6H10O4S.Li.H/c1-11(9,10)6(5(7)8)3-2-4-6;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyIHPQWAKRPYGOCB-UHFFFAOYSA-N
XLogP-2.85
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-2.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid?
The IUPAC name of lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid (CID 173147902) is lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid.
What is the SMILES notation for lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid?
The canonical SMILES for lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid is CS(=O)(=O)C1(C(=O)O)CCC1.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid?
The InChIKey is IHPQWAKRPYGOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S.Li.H/c1-11(9,10)6(5(7)8)3-2-4-6;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1.
What are the key properties of lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid?
lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid has a molecular weight of 186.16 g/mol, XLogP of -2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-methylsulfonylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 173147902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).