4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one

C15H23NOS — CID 114237475

IUPAC4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
SMILESCSCCCN(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-16(12-7-13-18-2)11-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyYVYZDCDIVOJWMO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.33
Rot. Bonds9

About 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one

4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one (PubChem CID 114237475) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
PubChem CID114237475
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
SMILESCSCCCN(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-16(12-7-13-18-2)11-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyYVYZDCDIVOJWMO-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
CID 112662103
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
CID 114950371
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one (CID 114237475) is 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one is CSCCCN(C)CCCC(=O)c1ccccc1.
What is the InChIKey of 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one?
The InChIKey is YVYZDCDIVOJWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-16(12-7-13-18-2)11-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one?
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 114237475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).