N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine

C11H17N3O2S — CID 75385737

IUPACN-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine
SMILESCSCCC(C)N(C)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H17N3O2S/c1-9(6-7-17-3)13(2)10-4-5-11(12-8-10)14(15)16/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAMPFQJKHHPWVMD-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.57
Rot. Bonds6

About N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine

N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine (PubChem CID 75385737) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine
PubChem CID75385737
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine
SMILESCSCCC(C)N(C)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H17N3O2S/c1-9(6-7-17-3)13(2)10-4-5-11(12-8-10)14(15)16/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAMPFQJKHHPWVMD-UHFFFAOYSA-N
XLogP2.57
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.57
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-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-Nitropyridin-2-ylamine
CID 77887
5-Nitro-2-piperidinopyridine
CID 97158
2-Amino-5-nitropyridine
CID 77888
N-methyl-5-nitropyridin-2-amine
CID 265883
N-Methyl-3-nitro-2-pyridinamine
CID 556349
N,N,N'-trimethyl-N'-(3-nitro-2-pyridyl)hydrazonoformamide
CID 9583478
1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
CID 2848979
1-Methyl-4-(6-nitropyridin-3-yl)-1,4-diazepane
CID 4788964
5-Nitro-2-(1-pyrrolidinyl)pyridine
CID 316823
N,N-dimethyl-5-nitropyridin-2-amine
CID 75707
5-(3,5-Dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
3-Nitro-2-(piperidin-1-YL)pyridine
CID 605297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine?
The IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine (CID 75385737) is N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine?
The canonical SMILES for N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine is CSCCC(C)N(C)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine?
The InChIKey is AMPFQJKHHPWVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9(6-7-17-3)13(2)10-4-5-11(12-8-10)14(15)16/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine?
N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine has a molecular weight of 255.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine is sourced from PubChem (CID 75385737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).