N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine

C11H16N4O2S — CID 80765652

IUPACN-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCSCC2)n1
InChIInChI=1S/C11H16N4O2S/c1-2-12-10-4-3-9(15(16)17)11(13-10)14-5-7-18-8-6-14/h3-4H,2,5-8H2,1H3,(H,12,13)
InChIKeyITZGKNJZHMZTMC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.97
Rot. Bonds4

About N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine

N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine (PubChem CID 80765652) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
PubChem CID80765652
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCSCC2)n1
InChIInChI=1S/C11H16N4O2S/c1-2-12-10-4-3-9(15(16)17)11(13-10)14-5-7-18-8-6-14/h3-4H,2,5-8H2,1H3,(H,12,13)
InChIKeyITZGKNJZHMZTMC-UHFFFAOYSA-N
XLogP1.97
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine
CID 80932064
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80778654
5-nitro-6-(1,4-oxazepan-4-yl)-N-propylpyridin-2-amine
CID 80823287
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80790489
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80913752
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine?
The IUPAC name of N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine (CID 80765652) is N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(N2CCSCC2)n1.
What is the InChIKey of N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine?
The InChIKey is ITZGKNJZHMZTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-12-10-4-3-9(15(16)17)11(13-10)14-5-7-18-8-6-14/h3-4H,2,5-8H2,1H3,(H,12,13).
What are the key properties of N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine?
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine has a molecular weight of 268.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 80765652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).