1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine

C11H15NO2S — CID 116830345

IUPAC1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C11H15NO2S/c1-7-3-10-11(14-6-13-10)4-8(7)9(12)5-15-2/h3-4,9H,5-6,12H2,1-2H3
InChIKeyUZLZTTOOSULQKA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine

1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine (PubChem CID 116830345) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
PubChem CID116830345
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C11H15NO2S/c1-7-3-10-11(14-6-13-10)4-8(7)9(12)5-15-2/h3-4,9H,5-6,12H2,1-2H3
InChIKeyUZLZTTOOSULQKA-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
1,3-diamino-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 116942599
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylethanol
CID 116830211
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116905628
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine (CID 116830345) is 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine is CSCC(N)c1cc2c(cc1C)OCO2.
What is the InChIKey of 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine?
The InChIKey is UZLZTTOOSULQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-3-10-11(14-6-13-10)4-8(7)9(12)5-15-2/h3-4,9H,5-6,12H2,1-2H3.
What are the key properties of 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine?
1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine is sourced from PubChem (CID 116830345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).