6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine

C10H15N3O4S — CID 113413444

IUPAC6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)CS(C)=O)n1
InChIInChI=1S/C10H15N3O4S/c1-7(6-18(3)16)11-10-8(13(14)15)4-5-9(12-10)17-2/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyZCXWELVXGDXBQW-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.18
Rot. Bonds6

About 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine

6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine (PubChem CID 113413444) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
PubChem CID113413444
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)CS(C)=O)n1
InChIInChI=1S/C10H15N3O4S/c1-7(6-18(3)16)11-10-8(13(14)15)4-5-9(12-10)17-2/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyZCXWELVXGDXBQW-UHFFFAOYSA-N
XLogP1.18
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.18
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

6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
CID 115682000

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine (CID 113413444) is 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NC(C)CS(C)=O)n1.
What is the InChIKey of 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine?
The InChIKey is ZCXWELVXGDXBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(6-18(3)16)11-10-8(13(14)15)4-5-9(12-10)17-2/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine?
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine has a molecular weight of 273.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 113413444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).