1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one

C15H23NOS — CID 115235308

IUPAC1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one
SMILESCCSc1ccc(C(C)(C)CNCC(C)=O)cc1
InChIInChI=1S/C15H23NOS/c1-5-18-14-8-6-13(7-9-14)15(3,4)11-16-10-12(2)17/h6-9,16H,5,10-11H2,1-4H3
InChIKeyWBSBKEYSWQPNLA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.25
Rot. Bonds7

About 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one

1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one (PubChem CID 115235308) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one
PubChem CID115235308
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one
SMILESCCSc1ccc(C(C)(C)CNCC(C)=O)cc1
InChIInChI=1S/C15H23NOS/c1-5-18-14-8-6-13(7-9-14)15(3,4)11-16-10-12(2)17/h6-9,16H,5,10-11H2,1-4H3
InChIKeyWBSBKEYSWQPNLA-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131542
3-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231368
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
2-(4-ethylsulfanylphenyl)-2,4-dimethylpentanoic acid
CID 112519746
(2R)-2-(tert-butylsulfinylamino)-2-(4-ethylsulfanylphenyl)propanoic acid
CID 121284591
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
N-(2-methylbutan-2-yl)-2-[(2-methyl-2-phenylpropyl)amino]acetamide
CID 60976584
[2-methyl-2-(4-methylsulfanylphenyl)propyl]carbamothioic S-acid
CID 115170564
4-(4-ethylsulfanylphenyl)-4-(methylamino)butan-2-one
CID 116956055
N-(chloromethyl)-2-methyl-2-(4-methylsulfanylphenyl)propan-1-amine
CID 115263682

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one?
The IUPAC name of 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one (CID 115235308) is 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one.
What is the SMILES notation for 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one?
The canonical SMILES for 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one is CCSc1ccc(C(C)(C)CNCC(C)=O)cc1.
What is the InChIKey of 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one?
The InChIKey is WBSBKEYSWQPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-18-14-8-6-13(7-9-14)15(3,4)11-16-10-12(2)17/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one?
1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one has a molecular weight of 265.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one is sourced from PubChem (CID 115235308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).