N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide

C17H24FN3O2S — CID 60594522

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCC(c1cccc(F)c1)N1CCOCC1)N1CCSCC1
InChIInChI=1S/C17H24FN3O2S/c18-15-3-1-2-14(12-15)16(20-4-8-23-9-5-20)13-19-17(22)21-6-10-24-11-7-21/h1-3,12,16H,4-11,13H2,(H,19,22)
InChIKeyRNJBQJQQJNTGFI-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide (PubChem CID 60594522) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide
PubChem CID60594522
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCC(c1cccc(F)c1)N1CCOCC1)N1CCSCC1
InChIInChI=1S/C17H24FN3O2S/c18-15-3-1-2-14(12-15)16(20-4-8-23-9-5-20)13-19-17(22)21-6-10-24-11-7-21/h1-3,12,16H,4-11,13H2,(H,19,22)
InChIKeyRNJBQJQQJNTGFI-UHFFFAOYSA-N
XLogP1.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide 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-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide (CID 60594522) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide is O=C(NCC(c1cccc(F)c1)N1CCOCC1)N1CCSCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide?
The InChIKey is RNJBQJQQJNTGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c18-15-3-1-2-14(12-15)16(20-4-8-23-9-5-20)13-19-17(22)21-6-10-24-11-7-21/h1-3,12,16H,4-11,13H2,(H,19,22).
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 60594522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).