1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine

C9H18N2S — CID 103595865

IUPAC1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CSCCN1C
InChIInChI=1S/C9H18N2S/c1-3-4-8(10)9-7-12-6-5-11(9)2/h3,8-9H,1,4-7,10H2,2H3
InChIKeyIEUGMRLXJYQWHN-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine

1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine (PubChem CID 103595865) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
PubChem CID103595865
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CSCCN1C
InChIInChI=1S/C9H18N2S/c1-3-4-8(10)9-7-12-6-5-11(9)2/h3,8-9H,1,4-7,10H2,2H3
InChIKeyIEUGMRLXJYQWHN-UHFFFAOYSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
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
1-ethylsulfanyl-N-propylhex-5-en-2-amine
CID 65127489
N-ethyl-1-ethylsulfanylhex-5-en-2-amine
CID 65128345
N-ethyl-1-propylsulfanylhex-5-en-2-amine
CID 65128813
N-propyl-1-propylsulfanylhex-5-en-2-amine
CID 65128879
N-ethyl-1-propan-2-ylsulfanylhex-5-en-2-amine
CID 65131675

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine (CID 103595865) is 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine is C=CCC(N)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
The InChIKey is IEUGMRLXJYQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-4-8(10)9-7-12-6-5-11(9)2/h3,8-9H,1,4-7,10H2,2H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine?
1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine has a molecular weight of 186.32 g/mol, XLogP of 0.94, 3 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)but-3-en-1-amine is sourced from PubChem (CID 103595865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).