trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate

C4H4Li3NO8S2 — CID 102181566

IUPACtrilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate
SMILESO=C([O-])CS(=O)(=O)[N-]S(=O)(=O)CC(=O)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C4H6NO8S2.3Li/c6-3(7)1-14(10,11)5-15(12,13)2-4(8)9;;;/h1-2H2,(H,6,7)(H,8,9);;;/q-1;3*+1/p-2
InChIKeyMGNLDLGODAFOPO-UHFFFAOYSA-L
MW279.03 g/mol
LogP-13.47
Rot. Bonds6

About trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate

trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate (PubChem CID 102181566) has the molecular formula C4H4Li3NO8S2 and a molecular weight of 279.03 g/mol. Its IUPAC name is trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate.

Molecular Properties

Compound Nametrilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate
PubChem CID102181566
Molecular FormulaC4H4Li3NO8S2
Molecular Weight279.03 g/mol
Exact Mass278.99
IUPAC Nametrilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate
SMILESO=C([O-])CS(=O)(=O)[N-]S(=O)(=O)CC(=O)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C4H6NO8S2.3Li/c6-3(7)1-14(10,11)5-15(12,13)2-4(8)9;;;/h1-2H2,(H,6,7)(H,8,9);;;/q-1;3*+1/p-2
InChIKeyMGNLDLGODAFOPO-UHFFFAOYSA-L
XLogP-13.47
TPSA162.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 5-13.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 23671920
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CID 175429623
calcium;sulfuric acid;diacetate
CID 173099353
magnesium;sulfuric acid;carbonate
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bis(butanedioate);osmium(4+)
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sodium 2-propylsulfonylacetate
CID 88750537
copper;propanoate;propanoic acid;sulfuric acid
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CID 19804496
methanesulfonate;propanoate
CID 20534691
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CID 174937969

Frequently Asked Questions

What is the IUPAC name of trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate?
The IUPAC name of trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate (CID 102181566) is trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate.
What is the SMILES notation for trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate?
The canonical SMILES for trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate is O=C([O-])CS(=O)(=O)[N-]S(=O)(=O)CC(=O)[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate?
The InChIKey is MGNLDLGODAFOPO-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6NO8S2.3Li/c6-3(7)1-14(10,11)5-15(12,13)2-4(8)9;;;/h1-2H2,(H,6,7)(H,8,9);;;/q-1;3*+1/p-2.
What are the key properties of trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate?
trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate has a molecular weight of 279.03 g/mol, XLogP of -13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate is sourced from PubChem (CID 102181566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).