lithium N,N-dipropylsulfamate

C6H14LiNO3S — CID 156663428

IUPAClithium N,N-dipropylsulfamate
SMILESCCCN(CCC)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C6H15NO3S.Li/c1-3-5-7(6-4-2)11(8,9)10;/h3-6H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKeyOYUJASILHFIQQH-UHFFFAOYSA-M
MW187.19 g/mol
LogP-2.43
Rot. Bonds5

About lithium N,N-dipropylsulfamate

lithium N,N-dipropylsulfamate (PubChem CID 156663428) has the molecular formula C6H14LiNO3S and a molecular weight of 187.19 g/mol. Its IUPAC name is lithium N,N-dipropylsulfamate.

Molecular Properties

Compound Namelithium N,N-dipropylsulfamate
PubChem CID156663428
Molecular FormulaC6H14LiNO3S
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Namelithium N,N-dipropylsulfamate
SMILESCCCN(CCC)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C6H15NO3S.Li/c1-3-5-7(6-4-2)11(8,9)10;/h3-6H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKeyOYUJASILHFIQQH-UHFFFAOYSA-M
XLogP-2.43
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-2.43
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-dipropylsulfamate?
The IUPAC name of lithium N,N-dipropylsulfamate (CID 156663428) is lithium N,N-dipropylsulfamate.
What is the SMILES notation for lithium N,N-dipropylsulfamate?
The canonical SMILES for lithium N,N-dipropylsulfamate is CCCN(CCC)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium N,N-dipropylsulfamate?
The InChIKey is OYUJASILHFIQQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3S.Li/c1-3-5-7(6-4-2)11(8,9)10;/h3-6H2,1-2H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium N,N-dipropylsulfamate?
lithium N,N-dipropylsulfamate has a molecular weight of 187.19 g/mol, XLogP of -2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dipropylsulfamate is sourced from PubChem (CID 156663428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).