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

C15H23NOS — CID 112662103

IUPAC4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
SMILESCSCC(C)N(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-13(12-18-3)16(2)11-7-10-15(17)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyBTJICLYCLZPPRI-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.33
Rot. Bonds8

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

4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one (PubChem CID 112662103) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
PubChem CID112662103
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
SMILESCSCC(C)N(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-13(12-18-3)16(2)11-7-10-15(17)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyBTJICLYCLZPPRI-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
ethane;1-phenylpentan-1-one
CID 143728184
4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one
CID 70415403
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
6-methyl-1-phenylheptan-1-one
CID 64505975
1,15-diphenylpentadecane-1,15-dione
CID 159981687

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one (CID 112662103) is 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one is CSCC(C)N(C)CCCC(=O)c1ccccc1.
What is the InChIKey of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one?
The InChIKey is BTJICLYCLZPPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-13(12-18-3)16(2)11-7-10-15(17)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3.
What are the key properties of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one?
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 112662103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).