2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

C11H15NO4S — CID 117396503

IUPAC2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCS(=O)(=O)c1c(CCN)ccc2c1OCCO2
InChIInChI=1S/C11H15NO4S/c1-17(13,14)11-8(4-5-12)2-3-9-10(11)16-7-6-15-9/h2-3H,4-7,12H2,1H3
InChIKeyGZSLQYOSNSHDPS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.36
Rot. Bonds3

About 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 117396503) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID117396503
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCS(=O)(=O)c1c(CCN)ccc2c1OCCO2
InChIInChI=1S/C11H15NO4S/c1-17(13,14)11-8(4-5-12)2-3-9-10(11)16-7-6-15-9/h2-3H,4-7,12H2,1H3
InChIKeyGZSLQYOSNSHDPS-UHFFFAOYSA-N
XLogP0.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117359951
N-methyl-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117431248
1-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine
CID 117431271
3-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 117459764
1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117396524
2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117463473
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
3-amino-1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-1-one
CID 117430859
2-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 117460829
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117356326
4-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-amine
CID 117413721
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
CID 117472649

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 117396503) is 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is CS(=O)(=O)c1c(CCN)ccc2c1OCCO2.
What is the InChIKey of 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is GZSLQYOSNSHDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-17(13,14)11-8(4-5-12)2-3-9-10(11)16-7-6-15-9/h2-3H,4-7,12H2,1H3.
What are the key properties of 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 257.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 117396503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).