4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine

C13H19N3O2S — CID 103718501

IUPAC4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
SMILESCSC1CCCCC1Nc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C13H19N3O2S/c1-9-7-13(14-8-11(9)16(17)18)15-10-5-3-4-6-12(10)19-2/h7-8,10,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyVJHFNMJGZUIJTN-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.38
Rot. Bonds4

About 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine

4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine (PubChem CID 103718501) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
PubChem CID103718501
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
SMILESCSC1CCCCC1Nc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C13H19N3O2S/c1-9-7-13(14-8-11(9)16(17)18)15-10-5-3-4-6-12(10)19-2/h7-8,10,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyVJHFNMJGZUIJTN-UHFFFAOYSA-N
XLogP3.38
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432
9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
4-[(4-methyl-5-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 79172604
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
3-bromo-N-(2-methylsulfanylcyclopentyl)-5-nitropyridin-4-amine
CID 114121837
1-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 82763428
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 133339717

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine (CID 103718501) is 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine is CSC1CCCCC1Nc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine?
The InChIKey is VJHFNMJGZUIJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-7-13(14-8-11(9)16(17)18)15-10-5-3-4-6-12(10)19-2/h7-8,10,12H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine?
4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 103718501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).