3-cyclopent-2-en-1-ylsulfinylpropan-1-amine

C8H15NOS — CID 58684044

IUPAC3-cyclopent-2-en-1-ylsulfinylpropan-1-amine
SMILESNCCCS(=O)C1C=CCC1
InChIInChI=1S/C8H15NOS/c9-6-3-7-11(10)8-4-1-2-5-8/h1,4,8H,2-3,5-7,9H2
InChIKeyQTWGKHCDJPZJLS-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.80
Rot. Bonds4

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

3-cyclopent-2-en-1-ylsulfinylpropan-1-amine (PubChem CID 58684044) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopent-2-en-1-ylsulfinylpropan-1-amine
PubChem CID58684044
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-cyclopent-2-en-1-ylsulfinylpropan-1-amine
SMILESNCCCS(=O)C1C=CCC1
InChIInChI=1S/C8H15NOS/c9-6-3-7-11(10)8-4-1-2-5-8/h1,4,8H,2-3,5-7,9H2
InChIKeyQTWGKHCDJPZJLS-UHFFFAOYSA-N
XLogP0.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopent-2-en-1-ylsulfinylethanamine
CID 58684091
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
3-(5-Methylhex-4-enylsulfinyl)propan-1-amine
CID 58684183
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-Cyclohex-3-en-1-ylsulfanylethanamine
CID 58684471
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
2-Cyclopent-3-en-1-ylsulfanylethanamine
CID 58684734

Frequently Asked Questions

What is the IUPAC name of 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine?
The IUPAC name of 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine (CID 58684044) is 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine.
What is the SMILES notation for 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine?
The canonical SMILES for 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine is NCCCS(=O)C1C=CCC1.
What is the InChIKey of 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine?
The InChIKey is QTWGKHCDJPZJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c9-6-3-7-11(10)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-ylsulfinylpropan-1-amine?
3-cyclopent-2-en-1-ylsulfinylpropan-1-amine has a molecular weight of 173.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-2-en-1-ylsulfinylpropan-1-amine is sourced from PubChem (CID 58684044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).