1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine

C8H16N2S — CID 106444397

IUPAC1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine
SMILESC=CC(N)C1CSCCN1C
InChIInChI=1S/C8H16N2S/c1-3-7(9)8-6-11-5-4-10(8)2/h3,7-8H,1,4-6,9H2,2H3
InChIKeyKJJYSWWHVTVIQD-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.55
Rot. Bonds2

About 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine

1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine (PubChem CID 106444397) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine
PubChem CID106444397
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine
SMILESC=CC(N)C1CSCCN1C
InChIInChI=1S/C8H16N2S/c1-3-7(9)8-6-11-5-4-10(8)2/h3,7-8H,1,4-6,9H2,2H3
InChIKeyKJJYSWWHVTVIQD-UHFFFAOYSA-N
XLogP0.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
2-[2-[4-[2-(2-Aminoethylsulfanyl)ethyl]-2,5-bis(prop-2-enyl)piperazin-1-yl]ethylsulfanyl]ethanamine
CID 171080470
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-[2-(3-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64052425
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053
(E)-4-(3-methylthiomorpholin-4-yl)but-2-en-1-amine
CID 66044430
4-(3-Methylthiomorpholin-4-yl)but-2-en-1-amine
CID 77110272
1-(1,4-dithian-2-yl)-N-propylprop-2-en-1-amine
CID 79966034
1-(1,4-dithian-2-yl)-N-ethylprop-2-en-1-amine
CID 79971966
N-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
CID 81811491

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine (CID 106444397) is 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine is C=CC(N)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
The InChIKey is KJJYSWWHVTVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-7(9)8-6-11-5-4-10(8)2/h3,7-8H,1,4-6,9H2,2H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine?
1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine has a molecular weight of 172.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 106444397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).