N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine

C10H17NOS2 — CID 62578593

IUPACN-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCOCCNCC(C)Sc1cccs1
InChIInChI=1S/C10H17NOS2/c1-9(8-11-5-6-12-2)14-10-4-3-7-13-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyZTXLGVAZGZBHGV-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.46
Rot. Bonds7

About N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine

N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine (PubChem CID 62578593) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine
PubChem CID62578593
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC NameN-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCOCCNCC(C)Sc1cccs1
InChIInChI=1S/C10H17NOS2/c1-9(8-11-5-6-12-2)14-10-4-3-7-13-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyZTXLGVAZGZBHGV-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 N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine (CID 62578593) is N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine is COCCNCC(C)Sc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The InChIKey is ZTXLGVAZGZBHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-9(8-11-5-6-12-2)14-10-4-3-7-13-10/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-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 N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 62578593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).