lithium prop-2-enylsulfonylazanide

C3H6LiNO2S — CID 88767594

IUPAClithium prop-2-enylsulfonylazanide
SMILESC=CCS([NH-])(=O)=O.[Li+]
InChIInChI=1S/C3H6NO2S.Li/c1-2-3-7(4,5)6;/h2H,1,3H2,(H-,4,5,6);/q-1;+1
InChIKeyILFJYBOYFVGUBZ-UHFFFAOYSA-N
MW127.09 g/mol
LogP-2.44
Rot. Bonds2

About lithium prop-2-enylsulfonylazanide

lithium prop-2-enylsulfonylazanide (PubChem CID 88767594) has the molecular formula C3H6LiNO2S and a molecular weight of 127.09 g/mol. Its IUPAC name is lithium prop-2-enylsulfonylazanide.

Molecular Properties

Compound Namelithium prop-2-enylsulfonylazanide
PubChem CID88767594
Molecular FormulaC3H6LiNO2S
Molecular Weight127.09 g/mol
Exact Mass127.03
IUPAC Namelithium prop-2-enylsulfonylazanide
SMILESC=CCS([NH-])(=O)=O.[Li+]
InChIInChI=1S/C3H6NO2S.Li/c1-2-3-7(4,5)6;/h2H,1,3H2,(H-,4,5,6);/q-1;+1
InChIKeyILFJYBOYFVGUBZ-UHFFFAOYSA-N
XLogP-2.44
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.09
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium prop-2-enylsulfonylazanide?
The IUPAC name of lithium prop-2-enylsulfonylazanide (CID 88767594) is lithium prop-2-enylsulfonylazanide.
What is the SMILES notation for lithium prop-2-enylsulfonylazanide?
The canonical SMILES for lithium prop-2-enylsulfonylazanide is C=CCS([NH-])(=O)=O.[Li+].
What is the InChIKey of lithium prop-2-enylsulfonylazanide?
The InChIKey is ILFJYBOYFVGUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2S.Li/c1-2-3-7(4,5)6;/h2H,1,3H2,(H-,4,5,6);/q-1;+1.
What are the key properties of lithium prop-2-enylsulfonylazanide?
lithium prop-2-enylsulfonylazanide has a molecular weight of 127.09 g/mol, XLogP of -2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium prop-2-enylsulfonylazanide is sourced from PubChem (CID 88767594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).