3-cyclopent-2-en-1-ylsulfonylpropan-1-amine

C8H15NO2S — CID 58684489

IUPAC3-cyclopent-2-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1C=CCC1
InChIInChI=1S/C8H15NO2S/c9-6-3-7-12(10,11)8-4-1-2-5-8/h1,4,8H,2-3,5-7,9H2
InChIKeyGHAARIIZXYXNMY-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.47
Rot. Bonds4

About 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine

3-cyclopent-2-en-1-ylsulfonylpropan-1-amine (PubChem CID 58684489) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopent-2-en-1-ylsulfonylpropan-1-amine
PubChem CID58684489
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3-cyclopent-2-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1C=CCC1
InChIInChI=1S/C8H15NO2S/c9-6-3-7-12(10,11)8-4-1-2-5-8/h1,4,8H,2-3,5-7,9H2
InChIKeyGHAARIIZXYXNMY-UHFFFAOYSA-N
XLogP0.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.47
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-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
3-Cyclopent-3-en-1-ylsulfanylpropan-1-amine
CID 58684245
2-Cyclohex-3-en-1-ylsulfinylethanamine
CID 58684372
2-Cyclopent-3-en-1-ylsulfinylethanamine
CID 58684426
2-[(E)-pent-3-enyl]sulfonylethanamine
CID 58684437
2-Cyclopent-3-en-1-ylsulfonylethanamine
CID 58684514
3-Cyclohex-3-en-1-ylsulfonylpropan-1-amine
CID 58684559
2-Cyclohex-3-en-1-ylsulfonylethanamine
CID 58684735
2-Cyclohex-2-en-1-ylsulfinylethanamine
CID 58684762

Frequently Asked Questions

What is the IUPAC name of 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine?
The IUPAC name of 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine (CID 58684489) is 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine is NCCCS(=O)(=O)C1C=CCC1.
What is the InChIKey of 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine?
The InChIKey is GHAARIIZXYXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c9-6-3-7-12(10,11)8-4-1-2-5-8/h1,4,8H,2-3,5-7,9H2.
What are the key properties of 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine?
3-cyclopent-2-en-1-ylsulfonylpropan-1-amine has a molecular weight of 189.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-2-en-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 58684489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).