1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one

C14H21NOS — CID 146006018

IUPAC1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one
SMILESCCN(CC)c1ccc(C(=O)CCSC)cc1
InChIInChI=1S/C14H21NOS/c1-4-15(5-2)13-8-6-12(7-9-13)14(16)10-11-17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyDKCDXCYHYAUSFV-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.47
Rot. Bonds7

About 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one

1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one (PubChem CID 146006018) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one
PubChem CID146006018
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one
SMILESCCN(CC)c1ccc(C(=O)CCSC)cc1
InChIInChI=1S/C14H21NOS/c1-4-15(5-2)13-8-6-12(7-9-13)14(16)10-11-17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyDKCDXCYHYAUSFV-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
3-methylsulfanyl-1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 146007939
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
CID 63567726
1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
CID 93193971
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylsulfanylpropan-1-one
CID 146005409
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone
CID 146006031
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045
4-(1-aminoethenyl)-N,N-diethylaniline
CID 146581099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one (CID 146006018) is 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one is CCN(CC)c1ccc(C(=O)CCSC)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one?
The InChIKey is DKCDXCYHYAUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-15(5-2)13-8-6-12(7-9-13)14(16)10-11-17-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one?
1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 146006018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).