2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone

C14H19NO2S — CID 117418026

IUPAC2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone
SMILESCNCC(=O)c1cccc(OC2CCCSC2)c1
InChIInChI=1S/C14H19NO2S/c1-15-9-14(16)11-4-2-5-12(8-11)17-13-6-3-7-18-10-13/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyUTNBAOCNOHLNQZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds5

About 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone

2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone (PubChem CID 117418026) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone
PubChem CID117418026
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone
SMILESCNCC(=O)c1cccc(OC2CCCSC2)c1
InChIInChI=1S/C14H19NO2S/c1-15-9-14(16)11-4-2-5-12(8-11)17-13-6-3-7-18-10-13/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyUTNBAOCNOHLNQZ-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(thian-3-yloxy)phenyl]ethanone
CID 115005156
1-[3-methoxy-2-(thian-3-yloxy)phenyl]-2-(methylamino)ethanone
CID 117476144
methyl 2-hydroxy-2-[3-(thian-3-yloxy)phenyl]acetate
CID 117453854
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
(3-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540886
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
1-[3-(thian-3-yloxy)phenyl]cyclobutan-1-amine
CID 117413862
3-cyclopentyloxybenzamide
CID 71932153
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114521229
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone (CID 117418026) is 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone is CNCC(=O)c1cccc(OC2CCCSC2)c1.
What is the InChIKey of 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone?
The InChIKey is UTNBAOCNOHLNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-15-9-14(16)11-4-2-5-12(8-11)17-13-6-3-7-18-10-13/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3.
What are the key properties of 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone?
2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone has a molecular weight of 265.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone is sourced from PubChem (CID 117418026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).