3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine

C10H17NOS2 — CID 62576705

IUPAC3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
SMILESCOCCCNCCSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-12-7-3-5-11-6-9-14-10-4-2-8-13-10/h2,4,8,11H,3,5-7,9H2,1H3
InChIKeyJHISDLLJVIDRCG-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.47
Rot. Bonds8

About 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine

3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine (PubChem CID 62576705) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
PubChem CID62576705
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
SMILESCOCCCNCCSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-12-7-3-5-11-6-9-14-10-4-2-8-13-10/h2,4,8,11H,3,5-7,9H2,1H3
InChIKeyJHISDLLJVIDRCG-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine (CID 62576705) is 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine is COCCCNCCSc1cccs1.
What is the InChIKey of 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is JHISDLLJVIDRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-12-7-3-5-11-6-9-14-10-4-2-8-13-10/h2,4,8,11H,3,5-7,9H2,1H3.
What are the key properties of 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 231.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 62576705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).