1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone

C15H17NO2S — CID 62051384

IUPAC1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)C1CCSC1
InChIInChI=1S/C15H17NO2S/c1-16(11-6-7-19-10-11)8-14(17)13-9-18-15-5-3-2-4-12(13)15/h2-5,9,11H,6-8,10H2,1H3
InChIKeyPGWIZFHZRHLUCM-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.05
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone

1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone (PubChem CID 62051384) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
PubChem CID62051384
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)C1CCSC1
InChIInChI=1S/C15H17NO2S/c1-16(11-6-7-19-10-11)8-14(17)13-9-18-15-5-3-2-4-12(13)15/h2-5,9,11H,6-8,10H2,1H3
InChIKeyPGWIZFHZRHLUCM-UHFFFAOYSA-N
XLogP3.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 43797742
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051579
3-[[methyl(thiolan-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 43296850
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
CID 62050511
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050875
1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051967

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone (CID 62051384) is 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone is CN(CC(=O)c1coc2ccccc12)C1CCSC1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The InChIKey is PGWIZFHZRHLUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16(11-6-7-19-10-11)8-14(17)13-9-18-15-5-3-2-4-12(13)15/h2-5,9,11H,6-8,10H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone?
1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone is sourced from PubChem (CID 62051384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).