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

C11H14N2O4S — CID 63767552

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C11H14N2O4S/c12-8-6-13(7-8)18(14,15)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5,8H,3-4,6-7,12H2
InChIKeyQXLPIDJCHJYKOC-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.21
Rot. Bonds2

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

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine (PubChem CID 63767552) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
PubChem CID63767552
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C11H14N2O4S/c12-8-6-13(7-8)18(14,15)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5,8H,3-4,6-7,12H2
InChIKeyQXLPIDJCHJYKOC-UHFFFAOYSA-N
XLogP-0.21
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-3-amine
CID 115301679
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N,N-dimethylazetidin-3-amine
CID 154859885
(3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665392
(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766609
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
(4aS,8aS)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926564
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744951
3-(2-bromoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 114801835
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]methyl]-2,6-difluorobenzenesulfonamide
CID 25243778
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,5-dimethylpiperazine;hydrochloride
CID 119980536
[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120765834
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1-oxide
CID 110721601

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine (CID 63767552) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine is NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine?
The InChIKey is QXLPIDJCHJYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c12-8-6-13(7-8)18(14,15)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5,8H,3-4,6-7,12H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine has a molecular weight of 270.31 g/mol, XLogP of -0.21, 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)azetidin-3-amine is sourced from PubChem (CID 63767552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).