2-cyclopent-2-en-1-ylsulfonylethanamine

C7H13NO2S — CID 58684165

IUPAC2-cyclopent-2-en-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)C1C=CCC1
InChIInChI=1S/C7H13NO2S/c8-5-6-11(9,10)7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyIWBDDPTUGQSSKB-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.08
Rot. Bonds3

About 2-cyclopent-2-en-1-ylsulfonylethanamine

2-cyclopent-2-en-1-ylsulfonylethanamine (PubChem CID 58684165) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylsulfonylethanamine.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylsulfonylethanamine
PubChem CID58684165
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-cyclopent-2-en-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)C1C=CCC1
InChIInChI=1S/C7H13NO2S/c8-5-6-11(9,10)7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyIWBDDPTUGQSSKB-UHFFFAOYSA-N
XLogP0.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.08
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-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-Cyclopent-2-en-1-ylsulfinylethanamine
CID 58684091
2-Cyclobut-2-en-1-ylsulfonylethanamine
CID 58684138
2-Cyclohex-3-en-1-ylsulfinylethanamine
CID 58684372
2-Cyclopent-3-en-1-ylsulfinylethanamine
CID 58684426
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
2-Cyclopent-2-en-1-ylsulfanylethanamine
CID 58684537
3-Cyclohex-3-en-1-ylsulfonylpropan-1-amine
CID 58684559
3-But-3-en-2-ylsulfonylpropan-1-amine
CID 58684589
2-Cyclopent-3-en-1-ylsulfanylethanamine
CID 58684734

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-ylsulfonylethanamine?
The IUPAC name of 2-cyclopent-2-en-1-ylsulfonylethanamine (CID 58684165) is 2-cyclopent-2-en-1-ylsulfonylethanamine.
What is the SMILES notation for 2-cyclopent-2-en-1-ylsulfonylethanamine?
The canonical SMILES for 2-cyclopent-2-en-1-ylsulfonylethanamine is NCCS(=O)(=O)C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylsulfonylethanamine?
The InChIKey is IWBDDPTUGQSSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c8-5-6-11(9,10)7-3-1-2-4-7/h1,3,7H,2,4-6,8H2.
What are the key properties of 2-cyclopent-2-en-1-ylsulfonylethanamine?
2-cyclopent-2-en-1-ylsulfonylethanamine has a molecular weight of 175.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylsulfonylethanamine is sourced from PubChem (CID 58684165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).