N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide

C11H12F2N2OS — CID 82906459

IUPACN-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CSCCN1
InChIInChI=1S/C11H12F2N2OS/c12-8-2-1-7(5-9(8)13)15-11(16)10-6-17-4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,15,16)
InChIKeyIMVHTASWIIPWLG-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.61
Rot. Bonds2

About N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide

N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide (PubChem CID 82906459) has the molecular formula C11H12F2N2OS and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
PubChem CID82906459
Molecular FormulaC11H12F2N2OS
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC NameN-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CSCCN1
InChIInChI=1S/C11H12F2N2OS/c12-8-2-1-7(5-9(8)13)15-11(16)10-6-17-4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,15,16)
InChIKeyIMVHTASWIIPWLG-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)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-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiomorpholine-3-carboxamide
CID 82898041
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 82906170
N-(3-chloro-4-nitrophenyl)thiomorpholine-3-carboxamide
CID 82916003
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide (CID 82906459) is N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CSCCN1.
What is the InChIKey of N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide?
The InChIKey is IMVHTASWIIPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS/c12-8-2-1-7(5-9(8)13)15-11(16)10-6-17-4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide?
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).