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

C10H13NO4S — CID 117359951

IUPAC(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCS(=O)(=O)c1c(CN)ccc2c1OCCO2
InChIInChI=1S/C10H13NO4S/c1-16(12,13)10-7(6-11)2-3-8-9(10)15-5-4-14-8/h2-3H,4-6,11H2,1H3
InChIKeyHOHORNNVZDHHKI-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.32
Rot. Bonds2

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

(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 117359951) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound Name(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
PubChem CID117359951
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESCS(=O)(=O)c1c(CN)ccc2c1OCCO2
InChIInChI=1S/C10H13NO4S/c1-16(12,13)10-7(6-11)2-3-8-9(10)15-5-4-14-8/h2-3H,4-6,11H2,1H3
InChIKeyHOHORNNVZDHHKI-UHFFFAOYSA-N
XLogP0.32
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117396503
1-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine
CID 117431271
N-methyl-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117431248
1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117396524
3-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 117459764
2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117463473
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
3-amino-1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-1-one
CID 117430859
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
CID 117472649
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
6-(1-isocyanatocyclobutyl)-5-methylsulfonyl-2,3-dihydro-1,4-benzodioxine
CID 117494119

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 117359951) is (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is CS(=O)(=O)c1c(CN)ccc2c1OCCO2.
What is the InChIKey of (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is HOHORNNVZDHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-16(12,13)10-7(6-11)2-3-8-9(10)15-5-4-14-8/h2-3H,4-6,11H2,1H3.
What are the key properties of (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 243.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 117359951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).