N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide

C14H21FN2OS — CID 51072622

IUPACN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCN(C)CCCNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-17(2)10-3-9-16-14(18)8-11-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyACDKJSJZWHKEGE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.38
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 51072622) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID51072622
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCN(C)CCCNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-17(2)10-3-9-16-14(18)8-11-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyACDKJSJZWHKEGE-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide 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 N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 51072622) is N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide is CN(C)CCCNC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is ACDKJSJZWHKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-17(2)10-3-9-16-14(18)8-11-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 51072622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).