2-pent-2-ynylsulfanylethanamine

C7H13NS — CID 58684871

IUPAC2-pent-2-ynylsulfanylethanamine
SMILESCCC#CCSCCN
InChIInChI=1S/C7H13NS/c1-2-3-4-6-9-7-5-8/h2,5-8H2,1H3
InChIKeyFNQXNMONGUAHRJ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.09
Rot. Bonds3

About 2-pent-2-ynylsulfanylethanamine

2-pent-2-ynylsulfanylethanamine (PubChem CID 58684871) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-pent-2-ynylsulfanylethanamine.

Molecular Properties

Compound Name2-pent-2-ynylsulfanylethanamine
PubChem CID58684871
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-pent-2-ynylsulfanylethanamine
SMILESCCC#CCSCCN
InChIInChI=1S/C7H13NS/c1-2-3-4-6-9-7-5-8/h2,5-8H2,1H3
InChIKeyFNQXNMONGUAHRJ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ethanamine, 2-(ethylthio)-
CID 148011
Ethylamine, 2-(2-propynylthio)-
CID 53286
Ethylamine, 2-(2-butynylthio)-
CID 53287
2-(Methylsulfanyl)propan-1-amine
CID 22450265
2-(tert-Butylthio)ethanamine
CID 2774519
2-(Prop-2-yn-1-ylsulfanyl)ethan-1-amine hydrochloride
CID 20147647
3-(Ethylsulfanyl)propan-1-amine
CID 21485330
Ethanamine, 2-(butylthio)-
CID 304044
2-(Propylthio)ethylamine
CID 6429132
2-Ethylsulfanylethylazanium
CID 7004128
2-(Isopropylthio)ethanamine
CID 15111098
3-(Propylthio)propan-1-amine
CID 19873160

Frequently Asked Questions

What is the IUPAC name of 2-pent-2-ynylsulfanylethanamine?
The IUPAC name of 2-pent-2-ynylsulfanylethanamine (CID 58684871) is 2-pent-2-ynylsulfanylethanamine.
What is the SMILES notation for 2-pent-2-ynylsulfanylethanamine?
The canonical SMILES for 2-pent-2-ynylsulfanylethanamine is CCC#CCSCCN.
What is the InChIKey of 2-pent-2-ynylsulfanylethanamine?
The InChIKey is FNQXNMONGUAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-3-4-6-9-7-5-8/h2,5-8H2,1H3.
What are the key properties of 2-pent-2-ynylsulfanylethanamine?
2-pent-2-ynylsulfanylethanamine 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-2-ynylsulfanylethanamine is sourced from PubChem (CID 58684871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).