lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate

C9H9LiNNaO3S — CID 15967997

IUPAClithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate
SMILES[CH2-]C/C([O-])=N/S(=O)(=O)c1ccccc1.[Li+].[Na+]
InChIInChI=1S/C9H10NO3S.Li.Na/c1-2-9(11)10-14(12,13)8-6-4-3-5-7-8;;/h3-7H,1-2H2,(H,10,11);;/q-1;2*+1/p-1
InChIKeyGKPBCJYHAZNTFI-UHFFFAOYSA-M
MW241.17 g/mol
LogP-5.63
Rot. Bonds3

About lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate

lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate (PubChem CID 15967997) has the molecular formula C9H9LiNNaO3S and a molecular weight of 241.17 g/mol. Its IUPAC name is lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate.

Molecular Properties

Compound Namelithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate
PubChem CID15967997
Molecular FormulaC9H9LiNNaO3S
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Namelithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate
SMILES[CH2-]C/C([O-])=N/S(=O)(=O)c1ccccc1.[Li+].[Na+]
InChIInChI=1S/C9H10NO3S.Li.Na/c1-2-9(11)10-14(12,13)8-6-4-3-5-7-8;;/h3-7H,1-2H2,(H,10,11);;/q-1;2*+1/p-1
InChIKeyGKPBCJYHAZNTFI-UHFFFAOYSA-M
XLogP-5.63
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 5-5.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate?
The IUPAC name of lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate (CID 15967997) is lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate.
What is the SMILES notation for lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate?
The canonical SMILES for lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate is [CH2-]C/C([O-])=N/S(=O)(=O)c1ccccc1.[Li+].[Na+].
What is the InChIKey of lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate?
The InChIKey is GKPBCJYHAZNTFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10NO3S.Li.Na/c1-2-9(11)10-14(12,13)8-6-4-3-5-7-8;;/h3-7H,1-2H2,(H,10,11);;/q-1;2*+1/p-1.
What are the key properties of lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate?
lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate has a molecular weight of 241.17 g/mol, XLogP of -5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;(1Z)-N-(benzenesulfonyl)propanimidate is sourced from PubChem (CID 15967997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).