2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine

C14H14N2OS — CID 79229787

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cccnc1SCC1COc2ccccc21
InChIInChI=1S/C14H14N2OS/c15-12-5-3-7-16-14(12)18-9-10-8-17-13-6-2-1-4-11(10)13/h1-7,10H,8-9,15H2
InChIKeyJVTDLJZMXDSLNL-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.93
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine

2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine (PubChem CID 79229787) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine
PubChem CID79229787
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cccnc1SCC1COc2ccccc21
InChIInChI=1S/C14H14N2OS/c15-12-5-3-7-16-14(12)18-9-10-8-17-13-6-2-1-4-11(10)13/h1-7,10H,8-9,15H2
InChIKeyJVTDLJZMXDSLNL-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridine-2-carboxylic acid
CID 79554136
1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
CID 79229949
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)pyrazin-2-amine
CID 106678680
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfanyl)aniline
CID 104768616
1-[3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]ethanone
CID 79229444
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide
CID 15881007
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
2-(2,3-dihydro-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 110753861
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine (CID 79229787) is 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine is Nc1cccnc1SCC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine?
The InChIKey is JVTDLJZMXDSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-12-5-3-7-16-14(12)18-9-10-8-17-13-6-2-1-4-11(10)13/h1-7,10H,8-9,15H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine?
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine has a molecular weight of 258.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 79229787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).