2-thiomorpholin-4-ylethanamine

C6H14N2S — CID 2773200

IUPAC2-thiomorpholin-4-ylethanamine
SMILESNCCN1CCSCC1
InChIInChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2
InChIKeyZMBVBAVBXVSHER-UHFFFAOYSA-N
MW146.26 g/mol
LogP-0.01
Rot. Bonds2

About 2-thiomorpholin-4-ylethanamine

2-thiomorpholin-4-ylethanamine (PubChem CID 2773200) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name2-thiomorpholin-4-ylethanamine
PubChem CID2773200
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-thiomorpholin-4-ylethanamine
SMILESNCCN1CCSCC1
InChIInChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2
InChIKeyZMBVBAVBXVSHER-UHFFFAOYSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylethanamine?
The IUPAC name of 2-thiomorpholin-4-ylethanamine (CID 2773200) is 2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 2-thiomorpholin-4-ylethanamine is NCCN1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylethanamine?
The InChIKey is ZMBVBAVBXVSHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2.
What are the key properties of 2-thiomorpholin-4-ylethanamine?
2-thiomorpholin-4-ylethanamine has a molecular weight of 146.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 2773200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).