4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one

C16H25NOS — CID 112662012

IUPAC4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
SMILESCCC(CSC)N(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-4-15(13-19-3)17(2)12-8-11-16(18)14-9-6-5-7-10-14/h5-7,9-10,15H,4,8,11-13H2,1-3H3
InChIKeyQVVZGZZZYXJXSZ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.72
Rot. Bonds9

About 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one

4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one (PubChem CID 112662012) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
PubChem CID112662012
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
SMILESCCC(CSC)N(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-4-15(13-19-3)17(2)12-8-11-16(18)14-9-6-5-7-10-14/h5-7,9-10,15H,4,8,11-13H2,1-3H3
InChIKeyQVVZGZZZYXJXSZ-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
CID 112662103
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128
1-(3-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-1-one
CID 112664545
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662034
2-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethoxy]benzoic acid
CID 115986159
1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone
CID 112662027
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
ethane;1-phenylpentan-1-one
CID 143728184
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one (CID 112662012) is 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one is CCC(CSC)N(C)CCCC(=O)c1ccccc1.
What is the InChIKey of 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
The InChIKey is QVVZGZZZYXJXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-15(13-19-3)17(2)12-8-11-16(18)14-9-6-5-7-10-14/h5-7,9-10,15H,4,8,11-13H2,1-3H3.
What are the key properties of 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one has a molecular weight of 279.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 112662012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).