1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine

C11H15NO3S — CID 64655817

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine
SMILESCS(=O)CC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO3S/c1-16(13)7-9(12)8-2-3-10-11(6-8)15-5-4-14-10/h2-3,6,9H,4-5,7,12H2,1H3
InChIKeyHUAGCLJQXZOPLW-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.84
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine (PubChem CID 64655817) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine
PubChem CID64655817
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine
SMILESCS(=O)CC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO3S/c1-16(13)7-9(12)8-2-3-10-11(6-8)15-5-4-14-10/h2-3,6,9H,4-5,7,12H2,1H3
InChIKeyHUAGCLJQXZOPLW-UHFFFAOYSA-N
XLogP0.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propylsulfinylethanamine
CID 64653602
1-(1,3-benzodioxol-5-yl)-2-tert-butylsulfinylethanamine
CID 64653579
2-butylsulfinyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 64653919
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
1-(1,3-benzodioxol-5-yl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759555
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 43144969
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutane-1,3-diamine
CID 116933523
ethyl 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 3560607
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanehydrazide
CID 116849196
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine (CID 64655817) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine is CS(=O)CC(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine?
The InChIKey is HUAGCLJQXZOPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(13)7-9(12)8-2-3-10-11(6-8)15-5-4-14-10/h2-3,6,9H,4-5,7,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine has a molecular weight of 241.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfinylethanamine is sourced from PubChem (CID 64655817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).