1-thiomorpholin-4-ylethanimine

C6H12N2S — CID 18727555

IUPAC1-thiomorpholin-4-ylethanimine
SMILES[H]/N=C(\C)N1CCSCC1
InChIInChI=1S/C6H12N2S/c1-6(7)8-2-4-9-5-3-8/h7H,2-5H2,1H3/b7-6+
InChIKeyBVBRNSQNULYPJW-VOTSOKGWSA-N
MW144.24 g/mol
LogP1.03
Rot. Bonds

About 1-thiomorpholin-4-ylethanimine

1-thiomorpholin-4-ylethanimine (PubChem CID 18727555) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylethanimine.

Molecular Properties

Compound Name1-thiomorpholin-4-ylethanimine
PubChem CID18727555
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-thiomorpholin-4-ylethanimine
SMILES[H]/N=C(\C)N1CCSCC1
InChIInChI=1S/C6H12N2S/c1-6(7)8-2-4-9-5-3-8/h7H,2-5H2,1H3/b7-6+
InChIKeyBVBRNSQNULYPJW-VOTSOKGWSA-N
XLogP1.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-ylethanimine?
The IUPAC name of 1-thiomorpholin-4-ylethanimine (CID 18727555) is 1-thiomorpholin-4-ylethanimine.
What is the SMILES notation for 1-thiomorpholin-4-ylethanimine?
The canonical SMILES for 1-thiomorpholin-4-ylethanimine is [H]/N=C(\C)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylethanimine?
The InChIKey is BVBRNSQNULYPJW-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2S/c1-6(7)8-2-4-9-5-3-8/h7H,2-5H2,1H3/b7-6+.
What are the key properties of 1-thiomorpholin-4-ylethanimine?
1-thiomorpholin-4-ylethanimine has a molecular weight of 144.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylethanimine is sourced from PubChem (CID 18727555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).