N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide

C11H19N5O4S — CID 80818699

IUPACN-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide
SMILESCNc1ccc([N+](=O)[O-])c(NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C11H19N5O4S/c1-11(2,15-21(4,19)20)7-13-10-8(16(17)18)5-6-9(12-3)14-10/h5-6,15H,7H2,1-4H3,(H2,12,13,14)
InChIKeyZHSSYRMMHAVJRU-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.77
Rot. Bonds7

About N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide (PubChem CID 80818699) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide
PubChem CID80818699
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide
SMILESCNc1ccc([N+](=O)[O-])c(NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C11H19N5O4S/c1-11(2,15-21(4,19)20)7-13-10-8(16(17)18)5-6-9(12-3)14-10/h5-6,15H,7H2,1-4H3,(H2,12,13,14)
InChIKeyZHSSYRMMHAVJRU-UHFFFAOYSA-N
XLogP0.77
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
1-(dimethylamino)-2-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 106150176
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
N-[2-methyl-1-(2-nitroanilino)propan-2-yl]methanesulfonamide
CID 63858648
6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
CID 115523197
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
N-[1-(5-fluoro-2-nitroanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860412
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 83269054
N-[1-(5-bromo-2-nitroanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 65343659
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide (CID 80818699) is N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide is CNc1ccc([N+](=O)[O-])c(NCC(C)(C)NS(C)(=O)=O)n1.
What is the InChIKey of N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide?
The InChIKey is ZHSSYRMMHAVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-11(2,15-21(4,19)20)7-13-10-8(16(17)18)5-6-9(12-3)14-10/h5-6,15H,7H2,1-4H3,(H2,12,13,14).
What are the key properties of N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 80818699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).