3-thiomorpholin-4-ylprop-1-en-1-amine

C7H14N2S — CID 66900121

IUPAC3-thiomorpholin-4-ylprop-1-en-1-amine
SMILESNC=CCN1CCSCC1
InChIInChI=1S/C7H14N2S/c8-2-1-3-9-4-6-10-7-5-9/h1-2H,3-8H2
InChIKeyWLRTZJHMVVSEQD-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.51
Rot. Bonds2

About 3-thiomorpholin-4-ylprop-1-en-1-amine

3-thiomorpholin-4-ylprop-1-en-1-amine (PubChem CID 66900121) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylprop-1-en-1-amine.

Molecular Properties

Compound Name3-thiomorpholin-4-ylprop-1-en-1-amine
PubChem CID66900121
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name3-thiomorpholin-4-ylprop-1-en-1-amine
SMILESNC=CCN1CCSCC1
InChIInChI=1S/C7H14N2S/c8-2-1-3-9-4-6-10-7-5-9/h1-2H,3-8H2
InChIKeyWLRTZJHMVVSEQD-UHFFFAOYSA-N
XLogP0.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-ylprop-1-en-1-amine?
The IUPAC name of 3-thiomorpholin-4-ylprop-1-en-1-amine (CID 66900121) is 3-thiomorpholin-4-ylprop-1-en-1-amine.
What is the SMILES notation for 3-thiomorpholin-4-ylprop-1-en-1-amine?
The canonical SMILES for 3-thiomorpholin-4-ylprop-1-en-1-amine is NC=CCN1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylprop-1-en-1-amine?
The InChIKey is WLRTZJHMVVSEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c8-2-1-3-9-4-6-10-7-5-9/h1-2H,3-8H2.
What are the key properties of 3-thiomorpholin-4-ylprop-1-en-1-amine?
3-thiomorpholin-4-ylprop-1-en-1-amine has a molecular weight of 158.27 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylprop-1-en-1-amine is sourced from PubChem (CID 66900121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).