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

C10H17NOS2 — CID 62578157

IUPAC1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine
SMILESCOCC(C)NCCSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-9(8-12-2)11-5-7-14-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyFOFAGCHBHASBNW-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.46
Rot. Bonds7

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

1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine (PubChem CID 62578157) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine
PubChem CID62578157
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine
SMILESCOCC(C)NCCSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-9(8-12-2)11-5-7-14-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyFOFAGCHBHASBNW-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.46
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 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine (CID 62578157) is 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine is COCC(C)NCCSc1cccs1.
What is the InChIKey of 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine?
The InChIKey is FOFAGCHBHASBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-9(8-12-2)11-5-7-14-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3.
What are the key properties of 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine?
1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine has a molecular weight of 231.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 62578157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).