4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine

C15H16N2O2S — CID 66362389

IUPAC4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine
SMILESCc1ccc2c(c1)CC(CS(=O)c1ccncc1N)O2
InChIInChI=1S/C15H16N2O2S/c1-10-2-3-14-11(6-10)7-12(19-14)9-20(18)15-4-5-17-8-13(15)16/h2-6,8,12H,7,9,16H2,1H3
InChIKeyZWVWACKZUXJIGO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.08
Rot. Bonds3

About 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine

4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine (PubChem CID 66362389) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine
PubChem CID66362389
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine
SMILESCc1ccc2c(c1)CC(CS(=O)c1ccncc1N)O2
InChIInChI=1S/C15H16N2O2S/c1-10-2-3-14-11(6-10)7-12(19-14)9-20(18)15-4-5-17-8-13(15)16/h2-6,8,12H,7,9,16H2,1H3
InChIKeyZWVWACKZUXJIGO-UHFFFAOYSA-N
XLogP2.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6471807
4-[(4-Methoxyphenyl)methylsulfanyl]-6-(trifluoromethyl)pyridin-3-amine
CID 177048138
3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)methylsulfonyl]pyridine
CID 162415183
4-[[2-(Difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
CID 43299781
4-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43299988
4-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43300008
4-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
CID 43300097
1-(5-Fluoro-7-{5-[(methylsulfonyl)methyl]pyridin-2-yl}-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56708715
2-[(3-Fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
CID 61366957
4-[[4-(Trifluoromethoxy)phenyl]methylsulfinyl]pyridin-3-amine
CID 62112154
4-[(3-Fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
CID 62112648
4-[(3-Fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
CID 62112986

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine (CID 66362389) is 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine is Cc1ccc2c(c1)CC(CS(=O)c1ccncc1N)O2.
What is the InChIKey of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine?
The InChIKey is ZWVWACKZUXJIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-2-3-14-11(6-10)7-12(19-14)9-20(18)15-4-5-17-8-13(15)16/h2-6,8,12H,7,9,16H2,1H3.
What are the key properties of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine?
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine has a molecular weight of 288.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 66362389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).