3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine

C10H19NOS — CID 142978224

IUPAC3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine
SMILESC#CC(CC)(CC)NCCCSO
InChIInChI=1S/C10H19NOS/c1-4-10(5-2,6-3)11-8-7-9-13-12/h1,11-12H,5-9H2,2-3H3
InChIKeyGUVIZDGSIZCFBM-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.36
Rot. Bonds7

About 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine

3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine (PubChem CID 142978224) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine
PubChem CID142978224
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine
SMILESC#CC(CC)(CC)NCCCSO
InChIInChI=1S/C10H19NOS/c1-4-10(5-2,6-3)11-8-7-9-13-12/h1,11-12H,5-9H2,2-3H3
InChIKeyGUVIZDGSIZCFBM-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine?
The IUPAC name of 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine (CID 142978224) is 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine.
What is the SMILES notation for 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine?
The canonical SMILES for 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine is C#CC(CC)(CC)NCCCSO.
What is the InChIKey of 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine?
The InChIKey is GUVIZDGSIZCFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-10(5-2,6-3)11-8-7-9-13-12/h1,11-12H,5-9H2,2-3H3.
What are the key properties of 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine?
3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine has a molecular weight of 201.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine is sourced from PubChem (CID 142978224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).