N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine

C14H15N3O2S — CID 126582916

IUPACN,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine
SMILESCc1ccc(Sc2nc(N(C)C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2S/c1-10-4-6-11(7-5-10)20-14-12(17(18)19)8-9-13(15-14)16(2)3/h4-9H,1-3H3
InChIKeyLWLJGJGSNWYGHA-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.52
Rot. Bonds4

About N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine

N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine (PubChem CID 126582916) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine
PubChem CID126582916
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine
SMILESCc1ccc(Sc2nc(N(C)C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2S/c1-10-4-6-11(7-5-10)20-14-12(17(18)19)8-9-13(15-14)16(2)3/h4-9H,1-3H3
InChIKeyLWLJGJGSNWYGHA-UHFFFAOYSA-N
XLogP3.52
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
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'}

Analyze N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine?
The IUPAC name of N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine (CID 126582916) is N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine?
The canonical SMILES for N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine is Cc1ccc(Sc2nc(N(C)C)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine?
The InChIKey is LWLJGJGSNWYGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-4-6-11(7-5-10)20-14-12(17(18)19)8-9-13(15-14)16(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine?
N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine has a molecular weight of 289.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-methylphenyl)sulfanyl-5-nitropyridin-2-amine is sourced from PubChem (CID 126582916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).