2-cyclopent-2-en-1-ylsulfinylethanamine

C7H13NOS — CID 58684091

IUPAC2-cyclopent-2-en-1-ylsulfinylethanamine
SMILESNCCS(=O)C1C=CCC1
InChIInChI=1S/C7H13NOS/c8-5-6-10(9)7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyRBWRPQDLFCRCFZ-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.41
Rot. Bonds3

About 2-cyclopent-2-en-1-ylsulfinylethanamine

2-cyclopent-2-en-1-ylsulfinylethanamine (PubChem CID 58684091) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylsulfinylethanamine.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylsulfinylethanamine
PubChem CID58684091
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-cyclopent-2-en-1-ylsulfinylethanamine
SMILESNCCS(=O)C1C=CCC1
InChIInChI=1S/C7H13NOS/c8-5-6-10(9)7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyRBWRPQDLFCRCFZ-UHFFFAOYSA-N
XLogP0.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.41
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

3-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
3-Cyclopent-3-en-1-ylsulfanylpropan-1-amine
CID 58684245
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311
2-Cyclohex-3-en-1-ylsulfinylethanamine
CID 58684372
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
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
2-Cyclopent-3-en-1-ylsulfanylethanamine
CID 58684734

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-ylsulfinylethanamine?
The IUPAC name of 2-cyclopent-2-en-1-ylsulfinylethanamine (CID 58684091) is 2-cyclopent-2-en-1-ylsulfinylethanamine.
What is the SMILES notation for 2-cyclopent-2-en-1-ylsulfinylethanamine?
The canonical SMILES for 2-cyclopent-2-en-1-ylsulfinylethanamine is NCCS(=O)C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylsulfinylethanamine?
The InChIKey is RBWRPQDLFCRCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c8-5-6-10(9)7-3-1-2-4-7/h1,3,7H,2,4-6,8H2.
What are the key properties of 2-cyclopent-2-en-1-ylsulfinylethanamine?
2-cyclopent-2-en-1-ylsulfinylethanamine has a molecular weight of 159.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylsulfinylethanamine is sourced from PubChem (CID 58684091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).