4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one

C15H23NOS — CID 116910553

IUPAC4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one
SMILESCC(=O)CC(c1ccc(SC(C)C)cc1)N(C)C
InChIInChI=1S/C15H23NOS/c1-11(2)18-14-8-6-13(7-9-14)15(16(4)5)10-12(3)17/h6-9,11,15H,10H2,1-5H3
InChIKeyWFUJSFCLGKJQSY-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.77
Rot. Bonds6

About 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one

4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one (PubChem CID 116910553) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one
PubChem CID116910553
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one
SMILESCC(=O)CC(c1ccc(SC(C)C)cc1)N(C)C
InChIInChI=1S/C15H23NOS/c1-11(2)18-14-8-6-13(7-9-14)15(16(4)5)10-12(3)17/h6-9,11,15H,10H2,1-5H3
InChIKeyWFUJSFCLGKJQSY-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
4-(3,4-dichlorophenyl)-4-(dimethylamino)butan-2-one
CID 116910574
4-(dimethylamino)-4-[4-(pyridin-2-ylmethyl)phenyl]butan-2-one
CID 59078586
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166
2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one (CID 116910553) is 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one is CC(=O)CC(c1ccc(SC(C)C)cc1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one?
The InChIKey is WFUJSFCLGKJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)18-14-8-6-13(7-9-14)15(16(4)5)10-12(3)17/h6-9,11,15H,10H2,1-5H3.
What are the key properties of 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one?
4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one has a molecular weight of 265.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one is sourced from PubChem (CID 116910553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).