2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone

C15H23NOS — CID 43795913

IUPAC2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(SC)cc1)CC(C)C
InChIInChI=1S/C15H23NOS/c1-5-16(10-12(2)3)11-15(17)13-6-8-14(18-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyDXHKRYNEMONCRB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.57
Rot. Bonds7

About 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone

2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 43795913) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
PubChem CID43795913
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(SC)cc1)CC(C)C
InChIInChI=1S/C15H23NOS/c1-5-16(10-12(2)3)11-15(17)13-6-8-14(18-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyDXHKRYNEMONCRB-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 55010640
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
CID 63567726
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43796358
N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
CID 62053546
4-[2-[2-cyanopropyl(ethyl)amino]acetyl]benzonitrile
CID 62034878
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone (CID 43795913) is 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone is CCN(CC(=O)c1ccc(SC)cc1)CC(C)C.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is DXHKRYNEMONCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-16(10-12(2)3)11-15(17)13-6-8-14(18-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 265.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 43795913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).