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

C15H16N2O2S — CID 115478681

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CSc2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C15H16N2O2S/c16-9-12-7-11(3-4-17-12)10-20-13-1-2-14-15(8-13)19-6-5-18-14/h1-4,7-8H,5-6,9-10,16H2
InChIKeyAQUXOFLBOPNFAW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.60
Rot. Bonds4

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

[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine (PubChem CID 115478681) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine
PubChem CID115478681
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CSc2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C15H16N2O2S/c16-9-12-7-11(3-4-17-12)10-20-13-1-2-14-15(8-13)19-6-5-18-14/h1-4,7-8H,5-6,9-10,16H2
InChIKeyAQUXOFLBOPNFAW-UHFFFAOYSA-N
XLogP2.60
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)pyridin-2-amine
CID 115480146
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 115478991
2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)pyridine
CID 78918860
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzenecarboximidamide
CID 115478483
[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
CID 115478659
[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 115480164
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-fluoroaniline
CID 78985185
[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)phenyl]boronic acid
CID 115478828
21-benzylsulfanyl-2,5,8,11,17-pentaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 58954439
[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63883446
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-methylpyridin-2-amine
CID 115478990
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine (CID 115478681) is [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine is NCc1cc(CSc2ccc3c(c2)OCCO3)ccn1.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine?
The InChIKey is AQUXOFLBOPNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-9-12-7-11(3-4-17-12)10-20-13-1-2-14-15(8-13)19-6-5-18-14/h1-4,7-8H,5-6,9-10,16H2.
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine?
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine has a molecular weight of 288.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 115478681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).