[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine

C14H14N2O2S — CID 115478659

IUPAC[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(Sc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14N2O2S/c15-9-10-2-1-3-14(16-10)19-11-4-5-12-13(8-11)18-7-6-17-12/h1-5,8H,6-7,9,15H2
InChIKeyPSNQDVDPAJHMSD-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.46
Rot. Bonds3

About [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine

[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine (PubChem CID 115478659) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
PubChem CID115478659
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(Sc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14N2O2S/c15-9-10-2-1-3-14(16-10)19-11-4-5-12-13(8-11)18-7-6-17-12/h1-5,8H,6-7,9,15H2
InChIKeyPSNQDVDPAJHMSD-UHFFFAOYSA-N
XLogP2.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
CID 113221068
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboxylic acid
CID 115478234
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769914
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine
CID 115478681
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
CID 115479558
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methylphenyl]ethanamine
CID 115479306
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(3-methylphenyl)ethanamine
CID 115478390
2-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478385
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]ethanamine
CID 115478517
4-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-propan-2-ylpyrimidine
CID 115478614
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methylphenyl]methanamine
CID 115479928
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 115479600

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine (CID 115478659) is [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine is NCc1cccc(Sc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine?
The InChIKey is PSNQDVDPAJHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-9-10-2-1-3-14(16-10)19-11-4-5-12-13(8-11)18-7-6-17-12/h1-5,8H,6-7,9,15H2.
What are the key properties of [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine?
[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine has a molecular weight of 274.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 115478659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).