(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone

C11H14N4O3S — CID 55051176

IUPAC(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)N2CCSCC2)c1
InChIInChI=1S/C11H14N4O3S/c12-13-8-1-2-10(15(17)18)9(7-8)11(16)14-3-5-19-6-4-14/h1-2,7,13H,3-6,12H2
InChIKeyOFRLFOZELYIARF-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.07
Rot. Bonds3

About (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone

(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 55051176) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone
PubChem CID55051176
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)N2CCSCC2)c1
InChIInChI=1S/C11H14N4O3S/c12-13-8-1-2-10(15(17)18)9(7-8)11(16)14-3-5-19-6-4-14/h1-2,7,13H,3-6,12H2
InChIKeyOFRLFOZELYIARF-UHFFFAOYSA-N
XLogP1.07
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236403
[5-(cyclopentylamino)-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 51087984
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
(3-hydroxy-4-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 113225086
(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone
CID 62242699
2-nitro-5-thiomorpholin-4-ylbenzamide
CID 150818863
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
[4-(hydroxymethyl)piperidin-1-yl]-[5-(methylamino)-2-nitrophenyl]methanone
CID 62185876
(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 28787276
(2-amino-6-fluoro-3-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 107122905
4-[4-nitro-3-(pyrrolidine-1-carbonyl)anilino]butanoic acid
CID 122058639
[3-(dimethylamino)pyrrolidin-1-yl]-[5-(methylamino)-2-nitrophenyl]methanone
CID 63174933

Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone (CID 55051176) is (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone is NNc1ccc([N+](=O)[O-])c(C(=O)N2CCSCC2)c1.
What is the InChIKey of (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is OFRLFOZELYIARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-13-8-1-2-10(15(17)18)9(7-8)11(16)14-3-5-19-6-4-14/h1-2,7,13H,3-6,12H2.
What are the key properties of (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone?
(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 282.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 55051176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).