lithium N,N-diethylsulfamate

C4H10LiNO3S — CID 139534725

IUPAClithium N,N-diethylsulfamate
SMILESCCN(CC)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H11NO3S.Li/c1-3-5(4-2)9(6,7)8;/h3-4H2,1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyFEHAIMDBNPOSPZ-UHFFFAOYSA-M
MW159.14 g/mol
LogP-3.21
Rot. Bonds3

About lithium N,N-diethylsulfamate

lithium N,N-diethylsulfamate (PubChem CID 139534725) has the molecular formula C4H10LiNO3S and a molecular weight of 159.14 g/mol. Its IUPAC name is lithium N,N-diethylsulfamate.

Molecular Properties

Compound Namelithium N,N-diethylsulfamate
PubChem CID139534725
Molecular FormulaC4H10LiNO3S
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namelithium N,N-diethylsulfamate
SMILESCCN(CC)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H11NO3S.Li/c1-3-5(4-2)9(6,7)8;/h3-4H2,1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyFEHAIMDBNPOSPZ-UHFFFAOYSA-M
XLogP-3.21
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-3.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-diethylsulfamate?
The IUPAC name of lithium N,N-diethylsulfamate (CID 139534725) is lithium N,N-diethylsulfamate.
What is the SMILES notation for lithium N,N-diethylsulfamate?
The canonical SMILES for lithium N,N-diethylsulfamate is CCN(CC)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium N,N-diethylsulfamate?
The InChIKey is FEHAIMDBNPOSPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S.Li/c1-3-5(4-2)9(6,7)8;/h3-4H2,1-2H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of lithium N,N-diethylsulfamate?
lithium N,N-diethylsulfamate has a molecular weight of 159.14 g/mol, XLogP of -3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethylsulfamate is sourced from PubChem (CID 139534725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).