3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine

C10H20N2S — CID 106444479

IUPAC3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CSCCN1C
InChIInChI=1S/C10H20N2S/c1-8(2)6-9(11)10-7-13-5-4-12(10)3/h6,9-10H,4-5,7,11H2,1-3H3
InChIKeyLPBWCXJZKIVLCD-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.33
Rot. Bonds2

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

3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine (PubChem CID 106444479) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
PubChem CID106444479
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CSCCN1C
InChIInChI=1S/C10H20N2S/c1-8(2)6-9(11)10-7-13-5-4-12(10)3/h6,9-10H,4-5,7,11H2,1-3H3
InChIKeyLPBWCXJZKIVLCD-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine (CID 106444479) is 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine is CC(C)=CC(N)C1CSCCN1C.
What is the InChIKey of 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The InChIKey is LPBWCXJZKIVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)6-9(11)10-7-13-5-4-12(10)3/h6,9-10H,4-5,7,11H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine is sourced from PubChem (CID 106444479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).