2-pent-3-yn-2-ylsulfanylethanamine

C7H13NS — CID 58684304

IUPAC2-pent-3-yn-2-ylsulfanylethanamine
SMILESCC#CC(C)SCCN
InChIInChI=1S/C7H13NS/c1-3-4-7(2)9-6-5-8/h7H,5-6,8H2,1-2H3
InChIKeyKJLUHBRNKWGWPH-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.09
Rot. Bonds3

About 2-pent-3-yn-2-ylsulfanylethanamine

2-pent-3-yn-2-ylsulfanylethanamine (PubChem CID 58684304) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-pent-3-yn-2-ylsulfanylethanamine.

Molecular Properties

Compound Name2-pent-3-yn-2-ylsulfanylethanamine
PubChem CID58684304
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-pent-3-yn-2-ylsulfanylethanamine
SMILESCC#CC(C)SCCN
InChIInChI=1S/C7H13NS/c1-3-4-7(2)9-6-5-8/h7H,5-6,8H2,1-2H3
InChIKeyKJLUHBRNKWGWPH-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-3-yn-2-ylsulfanylethanamine?
The IUPAC name of 2-pent-3-yn-2-ylsulfanylethanamine (CID 58684304) is 2-pent-3-yn-2-ylsulfanylethanamine.
What is the SMILES notation for 2-pent-3-yn-2-ylsulfanylethanamine?
The canonical SMILES for 2-pent-3-yn-2-ylsulfanylethanamine is CC#CC(C)SCCN.
What is the InChIKey of 2-pent-3-yn-2-ylsulfanylethanamine?
The InChIKey is KJLUHBRNKWGWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-4-7(2)9-6-5-8/h7H,5-6,8H2,1-2H3.
What are the key properties of 2-pent-3-yn-2-ylsulfanylethanamine?
2-pent-3-yn-2-ylsulfanylethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-yn-2-ylsulfanylethanamine is sourced from PubChem (CID 58684304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).