1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine

C16H17NO2S — CID 107784125

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCNC(CSc1ccoc1C)c1cc2ccccc2o1
InChIInChI=1S/C16H17NO2S/c1-11-16(7-8-18-11)20-10-13(17-2)15-9-12-5-3-4-6-14(12)19-15/h3-9,13,17H,10H2,1-2H3
InChIKeyPBLJHSJKRWTJEP-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.39
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine

1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107784125) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID107784125
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCNC(CSc1ccoc1C)c1cc2ccccc2o1
InChIInChI=1S/C16H17NO2S/c1-11-16(7-8-18-11)20-10-13(17-2)15-9-12-5-3-4-6-14(12)19-15/h3-9,13,17H,10H2,1-2H3
InChIKeyPBLJHSJKRWTJEP-UHFFFAOYSA-N
XLogP4.39
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
CID 107784351
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylethanamine
CID 64626414
1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
CID 64621206
1-(1-benzofuran-2-yl)-2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 64631060
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107784125) is 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine is CNC(CSc1ccoc1C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is PBLJHSJKRWTJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-16(7-8-18-11)20-10-13(17-2)15-9-12-5-3-4-6-14(12)19-15/h3-9,13,17H,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107784125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).