N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide

C14H21FN2OS — CID 3635907

IUPACN-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESCN(C)CCNC(=O)CCSCc1ccccc1F
InChIInChI=1S/C14H21FN2OS/c1-17(2)9-8-16-14(18)7-10-19-11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyPIFORNISNIPOTL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide

N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 3635907) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
PubChem CID3635907
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
SMILESCN(C)CCNC(=O)CCSCc1ccccc1F
InChIInChI=1S/C14H21FN2OS/c1-17(2)9-8-16-14(18)7-10-19-11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyPIFORNISNIPOTL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide (CID 3635907) is N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide is CN(C)CCNC(=O)CCSCc1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is PIFORNISNIPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-17(2)9-8-16-14(18)7-10-19-11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 284.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 3635907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).