6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide

C12H17N5O3S — CID 103470536

IUPAC6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCC1CN(c2ncc(C(N)=NO)cc2[N+](=O)[O-])CCS1
InChIInChI=1S/C12H17N5O3S/c1-2-9-7-16(3-4-21-9)12-10(17(19)20)5-8(6-14-12)11(13)15-18/h5-6,9,18H,2-4,7H2,1H3,(H2,13,15)
InChIKeyLBPVYRZTFPOJFY-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.42
Rot. Bonds4

About 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103470536) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103470536
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCC1CN(c2ncc(C(N)=NO)cc2[N+](=O)[O-])CCS1
InChIInChI=1S/C12H17N5O3S/c1-2-9-7-16(3-4-21-9)12-10(17(19)20)5-8(6-14-12)11(13)15-18/h5-6,9,18H,2-4,7H2,1H3,(H2,13,15)
InChIKeyLBPVYRZTFPOJFY-UHFFFAOYSA-N
XLogP1.42
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470512
6-(3,4-dimethylpiperazin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470430
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470498
N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470225
1-[4-(2-ethylthiomorpholin-4-yl)-3-nitrophenyl]ethanone
CID 115658692
6-(3-ethylpyrrolidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 113417729
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 104874651
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103470536) is 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is CCC1CN(c2ncc(C(N)=NO)cc2[N+](=O)[O-])CCS1.
What is the InChIKey of 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is LBPVYRZTFPOJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-2-9-7-16(3-4-21-9)12-10(17(19)20)5-8(6-14-12)11(13)15-18/h5-6,9,18H,2-4,7H2,1H3,(H2,13,15).
What are the key properties of 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 311.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).