N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide

C13H17FN2OS — CID 82906717

IUPACN-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CSCCN1
InChIInChI=1S/C13H17FN2OS/c14-11-3-1-2-10(8-11)4-5-16-13(17)12-9-18-7-6-15-12/h1-3,8,12,15H,4-7,9H2,(H,16,17)
InChIKeyFVWRSUJYIUAEPV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.19
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide

N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide (PubChem CID 82906717) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
PubChem CID82906717
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CSCCN1
InChIInChI=1S/C13H17FN2OS/c14-11-3-1-2-10(8-11)4-5-16-13(17)12-9-18-7-6-15-12/h1-3,8,12,15H,4-7,9H2,(H,16,17)
InChIKeyFVWRSUJYIUAEPV-UHFFFAOYSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide 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

N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide
CID 106397886
3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961367
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
CID 110667219
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-[2-(3-fluorophenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157335

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide (CID 82906717) is N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide is O=C(NCCc1cccc(F)c1)C1CSCCN1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is FVWRSUJYIUAEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c14-11-3-1-2-10(8-11)4-5-16-13(17)12-9-18-7-6-15-12/h1-3,8,12,15H,4-7,9H2,(H,16,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).