3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one

C14H21NOS — CID 112664511

IUPAC3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCSCCN(C)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-12-4-6-13(7-5-12)14(16)8-9-15(2)10-11-17-3/h4-7H,8-11H2,1-3H3
InChIKeyIITYFUPDDWPZCN-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.86
Rot. Bonds7

About 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one

3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 112664511) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID112664511
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCSCCN(C)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-12-4-6-13(7-5-12)14(16)8-9-15(2)10-11-17-3/h4-7H,8-11H2,1-3H3
InChIKeyIITYFUPDDWPZCN-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237487
3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 63484455
3-fluoro-1-(4-methylphenyl)propan-1-one
CID 89142724

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one (CID 112664511) is 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one is CSCCN(C)CCC(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is IITYFUPDDWPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-12-4-6-13(7-5-12)14(16)8-9-15(2)10-11-17-3/h4-7H,8-11H2,1-3H3.
What are the key properties of 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one?
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 251.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 112664511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).