[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine

C12H15NOS — CID 117175838

IUPAC[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine
SMILESCCSCc1cc2cc(CN)ccc2o1
InChIInChI=1S/C12H15NOS/c1-2-15-8-11-6-10-5-9(7-13)3-4-12(10)14-11/h3-6H,2,7-8,13H2,1H3
InChIKeyYAVNZNZFYHCSGK-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.14
Rot. Bonds4

About [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine

[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine (PubChem CID 117175838) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine.

Molecular Properties

Compound Name[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine
PubChem CID117175838
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine
SMILESCCSCc1cc2cc(CN)ccc2o1
InChIInChI=1S/C12H15NOS/c1-2-15-8-11-6-10-5-9(7-13)3-4-12(10)14-11/h3-6H,2,7-8,13H2,1H3
InChIKeyYAVNZNZFYHCSGK-UHFFFAOYSA-N
XLogP3.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethyl-1-benzofuran-5-yl)methanamine
CID 82411118
(5-ethyl-1-benzofuran-2-yl)methanol
CID 65439757
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
CID 84671699
(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
(5-iodo-1-benzofuran-2-yl)methanamine
CID 86775734
2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988
5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
CID 117176006
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
1-benzofuran-5-ylmethanamine
CID 2795182
2-propyl-1-benzofuran-5-amine
CID 22132951
2-iodo-5-propyl-1-benzofuran
CID 86051258

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine?
The IUPAC name of [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine (CID 117175838) is [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine.
What is the SMILES notation for [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine?
The canonical SMILES for [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine is CCSCc1cc2cc(CN)ccc2o1.
What is the InChIKey of [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine?
The InChIKey is YAVNZNZFYHCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-15-8-11-6-10-5-9(7-13)3-4-12(10)14-11/h3-6H,2,7-8,13H2,1H3.
What are the key properties of [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine?
[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine is sourced from PubChem (CID 117175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).