6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine

C10H15N3O3S — CID 75426721

IUPAC6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
SMILESCc1nc(NCCCS(C)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3S/c1-8-9(13(14)15)4-5-10(12-8)11-6-3-7-17(2)16/h4-5H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyAFQDWCAGXUYMTO-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.48
Rot. Bonds6

About 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine

6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine (PubChem CID 75426721) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
PubChem CID75426721
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
SMILESCc1nc(NCCCS(C)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3S/c1-8-9(13(14)15)4-5-10(12-8)11-6-3-7-17(2)16/h4-5H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyAFQDWCAGXUYMTO-UHFFFAOYSA-N
XLogP1.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
3-methyl-N-(3-methylsulfinylpropyl)-4-nitroaniline
CID 115631416
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
6-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80718363
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 80711079

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine (CID 75426721) is 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine is Cc1nc(NCCCS(C)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine?
The InChIKey is AFQDWCAGXUYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-9(13(14)15)4-5-10(12-8)11-6-3-7-17(2)16/h4-5H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine?
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine has a molecular weight of 257.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 75426721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).