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

C11H19N5O4S — CID 106332229

IUPACN-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H19N5O4S/c1-3-12-10-6-5-9(16(17)18)11(15-10)13-7-4-8-14-21(2,19)20/h5-6,14H,3-4,7-8H2,1-2H3,(H2,12,13,15)
InChIKeyMTXLARWZJOSHAV-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.77
Rot. Bonds9

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

N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide (PubChem CID 106332229) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
PubChem CID106332229
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H19N5O4S/c1-3-12-10-6-5-9(16(17)18)11(15-10)13-7-4-8-14-21(2,19)20/h5-6,14H,3-4,7-8H2,1-2H3,(H2,12,13,15)
InChIKeyMTXLARWZJOSHAV-UHFFFAOYSA-N
XLogP0.77
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.77
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'}

Analyze N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850
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-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
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
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide (CID 106332229) is N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide is CCNc1ccc([N+](=O)[O-])c(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide?
The InChIKey is MTXLARWZJOSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-3-12-10-6-5-9(16(17)18)11(15-10)13-7-4-8-14-21(2,19)20/h5-6,14H,3-4,7-8H2,1-2H3,(H2,12,13,15).
What are the key properties of N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide?
N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).