2-cyclopent-2-en-1-ylsulfanylethanamine

C7H13NS — CID 58684537

IUPAC2-cyclopent-2-en-1-ylsulfanylethanamine
SMILESNCCSC1C=CCC1
InChIInChI=1S/C7H13NS/c8-5-6-9-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyZIIYBJQWCYETOH-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds3

About 2-cyclopent-2-en-1-ylsulfanylethanamine

2-cyclopent-2-en-1-ylsulfanylethanamine (PubChem CID 58684537) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylsulfanylethanamine.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylsulfanylethanamine
PubChem CID58684537
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-cyclopent-2-en-1-ylsulfanylethanamine
SMILESNCCSC1C=CCC1
InChIInChI=1S/C7H13NS/c8-5-6-9-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyZIIYBJQWCYETOH-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.40
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

(2E)-2-(thiolan-2-ylidene)ethanamine
CID 14045338
(2Z)-2-(thiolan-2-ylidene)ethanamine
CID 14045339
2-Cyclohexa-1,3-dien-1-ylsulfanylethanamine
CID 20187847
2-(Thiolan-2-ylidene)ethanamine
CID 53752433
3-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-Cyclopent-2-en-1-ylsulfinylethanamine
CID 58684091
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
3-Cyclohex-3-en-1-ylsulfanylpropan-1-amine
CID 58684239
3-Cyclopent-3-en-1-ylsulfanylpropan-1-amine
CID 58684245
2-[(E)-pent-3-enyl]sulfanylethanamine
CID 58684285
2-Cyclopent-3-en-1-ylsulfinylethanamine
CID 58684426
2-[(E)-pent-3-en-2-yl]sulfanylethanamine
CID 58684441

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-ylsulfanylethanamine?
The IUPAC name of 2-cyclopent-2-en-1-ylsulfanylethanamine (CID 58684537) is 2-cyclopent-2-en-1-ylsulfanylethanamine.
What is the SMILES notation for 2-cyclopent-2-en-1-ylsulfanylethanamine?
The canonical SMILES for 2-cyclopent-2-en-1-ylsulfanylethanamine is NCCSC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylsulfanylethanamine?
The InChIKey is ZIIYBJQWCYETOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c8-5-6-9-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2.
What are the key properties of 2-cyclopent-2-en-1-ylsulfanylethanamine?
2-cyclopent-2-en-1-ylsulfanylethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 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-ylsulfanylethanamine is sourced from PubChem (CID 58684537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).