N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine

C9H15NS — CID 105158299

IUPACN-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)C1CCSC1
InChIInChI=1S/C9H15NS/c1-3-9(10-4-2)8-5-6-11-7-8/h1,8-10H,4-7H2,2H3
InChIKeyQCCDXJRFVMMZBS-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.35
Rot. Bonds3

About N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine

N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine (PubChem CID 105158299) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
PubChem CID105158299
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)C1CCSC1
InChIInChI=1S/C9H15NS/c1-3-9(10-4-2)8-5-6-11-7-8/h1,8-10H,4-7H2,2H3
InChIKeyQCCDXJRFVMMZBS-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.35
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 N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine (CID 105158299) is N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine is C#CC(NCC)C1CCSC1.
What is the InChIKey of N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine?
The InChIKey is QCCDXJRFVMMZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-9(10-4-2)8-5-6-11-7-8/h1,8-10H,4-7H2,2H3.
What are the key properties of N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine?
N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine has a molecular weight of 169.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 105158299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).