2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone

C15H23NOS — CID 59233394

IUPAC2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
SMILESCCN(CC)CCCSCC(=O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChIKeyWZYRLVGEYWCPNK-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.33
Rot. Bonds9

About 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone

2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone (PubChem CID 59233394) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
PubChem CID59233394
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
SMILESCCN(CC)CCCSCC(=O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChIKeyWZYRLVGEYWCPNK-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone 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

2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
2-ethylsulfanyl-1-phenylethanone
CID 2776060
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
2-pentylsulfanyl-1-(4-phenylphenyl)ethanone
CID 129028325
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol
CID 19026831
3-phenacylsulfanylpropyl methanesulfonate
CID 90222659
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone?
The IUPAC name of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone (CID 59233394) is 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone is CCN(CC)CCCSCC(=O)c1ccccc1.
What is the InChIKey of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone?
The InChIKey is WZYRLVGEYWCPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone?
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone has a molecular weight of 265.42 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone is sourced from PubChem (CID 59233394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).