2-cyclobut-2-en-1-ylsulfonylethanamine

C6H11NO2S — CID 58684138

IUPAC2-cyclobut-2-en-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)C1C=CC1
InChIInChI=1S/C6H11NO2S/c7-4-5-10(8,9)6-2-1-3-6/h1-2,6H,3-5,7H2
InChIKeyKIOHHEGPLRTMCO-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.31
Rot. Bonds3

About 2-cyclobut-2-en-1-ylsulfonylethanamine

2-cyclobut-2-en-1-ylsulfonylethanamine (PubChem CID 58684138) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-cyclobut-2-en-1-ylsulfonylethanamine.

Molecular Properties

Compound Name2-cyclobut-2-en-1-ylsulfonylethanamine
PubChem CID58684138
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2-cyclobut-2-en-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)C1C=CC1
InChIInChI=1S/C6H11NO2S/c7-4-5-10(8,9)6-2-1-3-6/h1-2,6H,3-5,7H2
InChIKeyKIOHHEGPLRTMCO-UHFFFAOYSA-N
XLogP-0.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-Ethylsulfonylbut-3-en-1-amine
CID 57031269
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
2-(4-Chlorocyclobut-2-en-1-yl)sulfonylethanamine
CID 58684185
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
2-[(E)-pent-3-enyl]sulfonylethanamine
CID 58684437
3-Cyclopent-2-en-1-ylsulfonylpropan-1-amine
CID 58684489
2-Cyclopent-3-en-1-ylsulfonylethanamine
CID 58684514
3-Prop-2-enylsulfonylpropan-1-amine
CID 58684572
3-But-3-en-2-ylsulfonylpropan-1-amine
CID 58684589

Frequently Asked Questions

What is the IUPAC name of 2-cyclobut-2-en-1-ylsulfonylethanamine?
The IUPAC name of 2-cyclobut-2-en-1-ylsulfonylethanamine (CID 58684138) is 2-cyclobut-2-en-1-ylsulfonylethanamine.
What is the SMILES notation for 2-cyclobut-2-en-1-ylsulfonylethanamine?
The canonical SMILES for 2-cyclobut-2-en-1-ylsulfonylethanamine is NCCS(=O)(=O)C1C=CC1.
What is the InChIKey of 2-cyclobut-2-en-1-ylsulfonylethanamine?
The InChIKey is KIOHHEGPLRTMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c7-4-5-10(8,9)6-2-1-3-6/h1-2,6H,3-5,7H2.
What are the key properties of 2-cyclobut-2-en-1-ylsulfonylethanamine?
2-cyclobut-2-en-1-ylsulfonylethanamine has a molecular weight of 161.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobut-2-en-1-ylsulfonylethanamine is sourced from PubChem (CID 58684138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).