2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C14H21NO2S — CID 55226241

IUPAC2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)CC2CCOCC2)s1
InChIInChI=1S/C14H21NO2S/c1-11-3-4-14(18-11)13(16)10-15(2)9-12-5-7-17-8-6-12/h3-4,12H,5-10H2,1-2H3
InChIKeyOSIDXROJMHKEKJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.60
Rot. Bonds5

About 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 55226241) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID55226241
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)CC2CCOCC2)s1
InChIInChI=1S/C14H21NO2S/c1-11-3-4-14(18-11)13(16)10-15(2)9-12-5-7-17-8-6-12/h3-4,12H,5-10H2,1-2H3
InChIKeyOSIDXROJMHKEKJ-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 60679615
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61429349
3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
CID 63711302
2-[methyl(oxan-4-ylmethyl)amino]-1-(3-nitrophenyl)ethanone
CID 63711390
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 55226241) is 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(C)CC2CCOCC2)s1.
What is the InChIKey of 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is OSIDXROJMHKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-3-4-14(18-11)13(16)10-15(2)9-12-5-7-17-8-6-12/h3-4,12H,5-10H2,1-2H3.
What are the key properties of 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 55226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).