1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C15H19NOS — CID 80723834

IUPAC1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2coc3ccccc23)CCCS1
InChIInChI=1S/C15H19NOS/c1-15(7-4-8-18-15)11-16-9-12-10-17-14-6-3-2-5-13(12)14/h2-3,5-6,10,16H,4,7-9,11H2,1H3
InChIKeyXOVZKSFGJDFIDE-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.81
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80723834) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80723834
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2coc3ccccc23)CCCS1
InChIInChI=1S/C15H19NOS/c1-15(7-4-8-18-15)11-16-9-12-10-17-14-6-3-2-5-13(12)14/h2-3,5-6,10,16H,4,7-9,11H2,1H3
InChIKeyXOVZKSFGJDFIDE-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528627
N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
1-(2-chloro-3-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 112652185
[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 80528732
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
CID 80725454
1-(4-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528679
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 80723518
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80527898
N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
CID 80528780

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80723834) is 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is CC1(CNCc2coc3ccccc23)CCCS1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is XOVZKSFGJDFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-15(7-4-8-18-15)11-16-9-12-10-17-14-6-3-2-5-13(12)14/h2-3,5-6,10,16H,4,7-9,11H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80723834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).