3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one

C14H21NOS — CID 3970736

IUPAC3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one
SMILESCCCSc1ccc(C(=O)CCN(C)C)cc1
InChIInChI=1S/C14H21NOS/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-8H,4,9-11H2,1-3H3
InChIKeyDSRBJHWGYDOQGS-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.32
Rot. Bonds7

About 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one

3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one (PubChem CID 3970736) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one
PubChem CID3970736
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one
SMILESCCCSc1ccc(C(=O)CCN(C)C)cc1
InChIInChI=1S/C14H21NOS/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-8H,4,9-11H2,1-3H3
InChIKeyDSRBJHWGYDOQGS-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one (CID 3970736) is 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one is CCCSc1ccc(C(=O)CCN(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one?
The InChIKey is DSRBJHWGYDOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one?
3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-propylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 3970736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).