2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine

C10H16N2S2 — CID 170868974

IUPAC2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine
SMILESNCCc1ccc(N2CCSCC2)s1
InChIInChI=1S/C10H16N2S2/c11-4-3-9-1-2-10(14-9)12-5-7-13-8-6-12/h1-2H,3-8,11H2
InChIKeyVYJVZEDBUCXEKO-UHFFFAOYSA-N
MW228.39 g/mol
LogP1.80
Rot. Bonds3

About 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine

2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine (PubChem CID 170868974) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine
PubChem CID170868974
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine
SMILESNCCc1ccc(N2CCSCC2)s1
InChIInChI=1S/C10H16N2S2/c11-4-3-9-1-2-10(14-9)12-5-7-13-8-6-12/h1-2H,3-8,11H2
InChIKeyVYJVZEDBUCXEKO-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine (CID 170868974) is 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine is NCCc1ccc(N2CCSCC2)s1.
What is the InChIKey of 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine?
The InChIKey is VYJVZEDBUCXEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c11-4-3-9-1-2-10(14-9)12-5-7-13-8-6-12/h1-2H,3-8,11H2.
What are the key properties of 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine?
2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine has a molecular weight of 228.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine is sourced from PubChem (CID 170868974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).