1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine

C13H18N2O4S — CID 43146942

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine
SMILESNC1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H18N2O4S/c14-13-3-1-2-6-15(13)20(16,17)10-4-5-11-12(9-10)19-8-7-18-11/h4-5,9,13H,1-3,6-8,14H2
InChIKeyJRUDWFYMWOXERP-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.92
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine (PubChem CID 43146942) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine
PubChem CID43146942
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine
SMILESNC1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H18N2O4S/c14-13-3-1-2-6-15(13)20(16,17)10-4-5-11-12(9-10)19-8-7-18-11/h4-5,9,13H,1-3,6-8,14H2
InChIKeyJRUDWFYMWOXERP-UHFFFAOYSA-N
XLogP0.92
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]ethanamine
CID 119965358
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-2-carboxylic acid
CID 45475737
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
(4aS,8aS)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926564
1-(1,3-benzodioxol-5-ylsulfonyl)-2-cyclopentylpyrrolidine
CID 110871991
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
CID 63767552
(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-3-amine
CID 115301679
1-(3-bromo-4-chlorophenyl)sulfonylazepan-2-amine
CID 106606149
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-amine
CID 43096650
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(4-fluorophenyl)methyl]pyrrolidine
CID 110601884

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine (CID 43146942) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine is NC1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine?
The InChIKey is JRUDWFYMWOXERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-13-3-1-2-6-15(13)20(16,17)10-4-5-11-12(9-10)19-8-7-18-11/h4-5,9,13H,1-3,6-8,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine has a molecular weight of 298.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine is sourced from PubChem (CID 43146942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).