lithium N-cyclopent-3-en-1-ylsulfamate

C5H8LiNO3S — CID 156663411

IUPAClithium N-cyclopent-3-en-1-ylsulfamate
SMILESO=S(=O)([O-])NC1CC=CC1.[Li+]
InChIInChI=1S/C5H9NO3S.Li/c7-10(8,9)6-5-3-1-2-4-5;/h1-2,5-6H,3-4H2,(H,7,8,9);/q;+1/p-1
InChIKeySUJSMBLRKDSIRX-UHFFFAOYSA-M
MW169.13 g/mol
LogP-3.24
Rot. Bonds2

About lithium N-cyclopent-3-en-1-ylsulfamate

lithium N-cyclopent-3-en-1-ylsulfamate (PubChem CID 156663411) has the molecular formula C5H8LiNO3S and a molecular weight of 169.13 g/mol. Its IUPAC name is lithium N-cyclopent-3-en-1-ylsulfamate.

Molecular Properties

Compound Namelithium N-cyclopent-3-en-1-ylsulfamate
PubChem CID156663411
Molecular FormulaC5H8LiNO3S
Molecular Weight169.13 g/mol
Exact Mass169.04
IUPAC Namelithium N-cyclopent-3-en-1-ylsulfamate
SMILESO=S(=O)([O-])NC1CC=CC1.[Li+]
InChIInChI=1S/C5H9NO3S.Li/c7-10(8,9)6-5-3-1-2-4-5;/h1-2,5-6H,3-4H2,(H,7,8,9);/q;+1/p-1
InChIKeySUJSMBLRKDSIRX-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'}

Analyze lithium N-cyclopent-3-en-1-ylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopent-3-en-1-ylmethanesulfonamide
CID 15419749
Cyclopent-2-en-1-ylsulfamic acid
CID 85942733
Cyclopent-3-en-1-ylsulfamic acid
CID 154691940
lithium N-cyclopent-2-en-1-ylsulfamate
CID 156663382
lithium N-cyclohex-3-en-1-ylsulfamate
CID 156663424
lithium N-cyclohex-2-en-1-ylsulfamate
CID 156663475
methyl N-cyclopent-2-en-1-ylsulfamate
CID 53260030
4-(Sulfamoylamino)cyclohexene
CID 112692285
4-(Sulfamoylamino)cyclopentene
CID 115695445
4-(Dimethylsulfamoylamino)cyclopentene
CID 130719795

Frequently Asked Questions

What is the IUPAC name of lithium N-cyclopent-3-en-1-ylsulfamate?
The IUPAC name of lithium N-cyclopent-3-en-1-ylsulfamate (CID 156663411) is lithium N-cyclopent-3-en-1-ylsulfamate.
What is the SMILES notation for lithium N-cyclopent-3-en-1-ylsulfamate?
The canonical SMILES for lithium N-cyclopent-3-en-1-ylsulfamate is O=S(=O)([O-])NC1CC=CC1.[Li+].
What is the InChIKey of lithium N-cyclopent-3-en-1-ylsulfamate?
The InChIKey is SUJSMBLRKDSIRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3S.Li/c7-10(8,9)6-5-3-1-2-4-5;/h1-2,5-6H,3-4H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of lithium N-cyclopent-3-en-1-ylsulfamate?
lithium N-cyclopent-3-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-3-en-1-ylsulfamate is sourced from PubChem (CID 156663411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).