methyl N-cyclopent-2-en-1-ylsulfamate

C6H11NO3S — CID 53260030

IUPACmethyl N-cyclopent-2-en-1-ylsulfamate
SMILESCOS(=O)(=O)NC1C=CCC1
InChIInChI=1S/C6H11NO3S/c1-10-11(8,9)7-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3
InChIKeyRGUQZDFOUVJTOL-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.19
Rot. Bonds3

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

methyl N-cyclopent-2-en-1-ylsulfamate (PubChem CID 53260030) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is methyl N-cyclopent-2-en-1-ylsulfamate.

Molecular Properties

Compound Namemethyl N-cyclopent-2-en-1-ylsulfamate
PubChem CID53260030
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Namemethyl N-cyclopent-2-en-1-ylsulfamate
SMILESCOS(=O)(=O)NC1C=CCC1
InChIInChI=1S/C6H11NO3S/c1-10-11(8,9)7-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3
InChIKeyRGUQZDFOUVJTOL-UHFFFAOYSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-cyclopent-2-en-1-ylsulfamate?
The IUPAC name of methyl N-cyclopent-2-en-1-ylsulfamate (CID 53260030) is methyl N-cyclopent-2-en-1-ylsulfamate.
What is the SMILES notation for methyl N-cyclopent-2-en-1-ylsulfamate?
The canonical SMILES for methyl N-cyclopent-2-en-1-ylsulfamate is COS(=O)(=O)NC1C=CCC1.
What is the InChIKey of methyl N-cyclopent-2-en-1-ylsulfamate?
The InChIKey is RGUQZDFOUVJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-10-11(8,9)7-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3.
What are the key properties of methyl N-cyclopent-2-en-1-ylsulfamate?
methyl N-cyclopent-2-en-1-ylsulfamate has a molecular weight of 177.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclopent-2-en-1-ylsulfamate is sourced from PubChem (CID 53260030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).