lithium N-cyclopent-2-en-1-ylsulfamate

C5H8LiNO3S — CID 156663382

IUPAClithium N-cyclopent-2-en-1-ylsulfamate
SMILESO=S(=O)([O-])NC1C=CCC1.[Li+]
InChIInChI=1S/C5H9NO3S.Li/c7-10(8,9)6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2,(H,7,8,9);/q;+1/p-1
InChIKeyOTZRFTYVIFCSSK-UHFFFAOYSA-M
MW169.13 g/mol
LogP-3.24
Rot. Bonds2

About lithium N-cyclopent-2-en-1-ylsulfamate

lithium N-cyclopent-2-en-1-ylsulfamate (PubChem CID 156663382) has the molecular formula C5H8LiNO3S and a molecular weight of 169.13 g/mol. Its IUPAC name is lithium N-cyclopent-2-en-1-ylsulfamate.

Molecular Properties

Compound Namelithium N-cyclopent-2-en-1-ylsulfamate
PubChem CID156663382
Molecular FormulaC5H8LiNO3S
Molecular Weight169.13 g/mol
Exact Mass169.04
IUPAC Namelithium N-cyclopent-2-en-1-ylsulfamate
SMILESO=S(=O)([O-])NC1C=CCC1.[Li+]
InChIInChI=1S/C5H9NO3S.Li/c7-10(8,9)6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2,(H,7,8,9);/q;+1/p-1
InChIKeyOTZRFTYVIFCSSK-UHFFFAOYSA-M
XLogP-3.24
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-3.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N-cyclopent-2-en-1-ylsulfamate?
The IUPAC name of lithium N-cyclopent-2-en-1-ylsulfamate (CID 156663382) is lithium N-cyclopent-2-en-1-ylsulfamate.
What is the SMILES notation for lithium N-cyclopent-2-en-1-ylsulfamate?
The canonical SMILES for lithium N-cyclopent-2-en-1-ylsulfamate is O=S(=O)([O-])NC1C=CCC1.[Li+].
What is the InChIKey of lithium N-cyclopent-2-en-1-ylsulfamate?
The InChIKey is OTZRFTYVIFCSSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3S.Li/c7-10(8,9)6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of lithium N-cyclopent-2-en-1-ylsulfamate?
lithium N-cyclopent-2-en-1-ylsulfamate has a molecular weight of 169.13 g/mol, XLogP of -3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-cyclopent-2-en-1-ylsulfamate is sourced from PubChem (CID 156663382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).