N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide

C11H12FN3O3S — CID 82906631

IUPACN-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])C1CSCCN1
InChIInChI=1S/C11H12FN3O3S/c12-7-1-2-8(10(5-7)15(17)18)14-11(16)9-6-19-4-3-13-9/h1-2,5,9,13H,3-4,6H2,(H,14,16)
InChIKeyJOFZIVORYOUNFG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.38
Rot. Bonds3

About N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide

N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide (PubChem CID 82906631) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide
PubChem CID82906631
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC NameN-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])C1CSCCN1
InChIInChI=1S/C11H12FN3O3S/c12-7-1-2-8(10(5-7)15(17)18)14-11(16)9-6-19-4-3-13-9/h1-2,5,9,13H,3-4,6H2,(H,14,16)
InChIKeyJOFZIVORYOUNFG-UHFFFAOYSA-N
XLogP1.38
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-nitrophenyl)thiomorpholine-3-carboxamide
CID 82909107
N-(3-chloro-4-nitrophenyl)thiomorpholine-3-carboxamide
CID 82916003
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
(4-fluoro-2-nitrophenyl)urea
CID 69476086
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82908517
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
N-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 43703693

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide (CID 82906631) is N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide is O=C(Nc1ccc(F)cc1[N+](=O)[O-])C1CSCCN1.
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide?
The InChIKey is JOFZIVORYOUNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c12-7-1-2-8(10(5-7)15(17)18)14-11(16)9-6-19-4-3-13-9/h1-2,5,9,13H,3-4,6H2,(H,14,16).
What are the key properties of N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide?
N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).