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

C14H19NO2S — CID 62051967

IUPAC1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)C2CCSC2)c1
InChIInChI=1S/C14H19NO2S/c1-15(12-6-7-18-10-12)9-14(16)11-4-3-5-13(8-11)17-2/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyMZIKTUNSBZJRJR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.32
Rot. Bonds5

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

1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone (PubChem CID 62051967) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
PubChem CID62051967
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)C2CCSC2)c1
InChIInChI=1S/C14H19NO2S/c1-15(12-6-7-18-10-12)9-14(16)11-4-3-5-13(8-11)17-2/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyMZIKTUNSBZJRJR-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296316
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051579
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethanone
CID 105088554
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone (CID 62051967) is 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone is COc1cccc(C(=O)CN(C)C2CCSC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The InChIKey is MZIKTUNSBZJRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-15(12-6-7-18-10-12)9-14(16)11-4-3-5-13(8-11)17-2/h3-5,8,12H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone has a molecular weight of 265.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone is sourced from PubChem (CID 62051967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).