1-thiomorpholin-2-ylprop-2-en-1-amine

C7H14N2S — CID 66979199

IUPAC1-thiomorpholin-2-ylprop-2-en-1-amine
SMILESC=CC(N)C1CNCCS1
InChIInChI=1S/C7H14N2S/c1-2-6(8)7-5-9-3-4-10-7/h2,6-7,9H,1,3-5,8H2
InChIKeyRYZFNPPIQIMBSU-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.20
Rot. Bonds2

About 1-thiomorpholin-2-ylprop-2-en-1-amine

1-thiomorpholin-2-ylprop-2-en-1-amine (PubChem CID 66979199) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-thiomorpholin-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name1-thiomorpholin-2-ylprop-2-en-1-amine
PubChem CID66979199
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-thiomorpholin-2-ylprop-2-en-1-amine
SMILESC=CC(N)C1CNCCS1
InChIInChI=1S/C7H14N2S/c1-2-6(8)7-5-9-3-4-10-7/h2,6-7,9H,1,3-5,8H2
InChIKeyRYZFNPPIQIMBSU-UHFFFAOYSA-N
XLogP0.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-2-ylprop-2-en-1-amine?
The IUPAC name of 1-thiomorpholin-2-ylprop-2-en-1-amine (CID 66979199) is 1-thiomorpholin-2-ylprop-2-en-1-amine.
What is the SMILES notation for 1-thiomorpholin-2-ylprop-2-en-1-amine?
The canonical SMILES for 1-thiomorpholin-2-ylprop-2-en-1-amine is C=CC(N)C1CNCCS1.
What is the InChIKey of 1-thiomorpholin-2-ylprop-2-en-1-amine?
The InChIKey is RYZFNPPIQIMBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-6(8)7-5-9-3-4-10-7/h2,6-7,9H,1,3-5,8H2.
What are the key properties of 1-thiomorpholin-2-ylprop-2-en-1-amine?
1-thiomorpholin-2-ylprop-2-en-1-amine has a molecular weight of 158.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-2-ylprop-2-en-1-amine is sourced from PubChem (CID 66979199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).