N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide

C10H17N5O4S — CID 80787850

IUPACN-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H17N5O4S/c1-3-11-9-5-4-8(15(16)17)10(14-9)12-6-7-13-20(2,18)19/h4-5,13H,3,6-7H2,1-2H3,(H2,11,12,14)
InChIKeyLLOOZTMDIODXDO-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.38
Rot. Bonds8

About N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide

N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide (PubChem CID 80787850) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
PubChem CID80787850
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC NameN-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H17N5O4S/c1-3-11-9-5-4-8(15(16)17)10(14-9)12-6-7-13-20(2,18)19/h4-5,13H,3,6-7H2,1-2H3,(H2,11,12,14)
InChIKeyLLOOZTMDIODXDO-UHFFFAOYSA-N
XLogP0.38
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332229
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide (CID 80787850) is N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide is CCNc1ccc([N+](=O)[O-])c(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide?
The InChIKey is LLOOZTMDIODXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-3-11-9-5-4-8(15(16)17)10(14-9)12-6-7-13-20(2,18)19/h4-5,13H,3,6-7H2,1-2H3,(H2,11,12,14).
What are the key properties of N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide?
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80787850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).