N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine

C10H15N3O4S — CID 79563520

IUPACN-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine
SMILESCC(C)(CNc1cc([N+](=O)[O-])ccn1)S(C)(=O)=O
InChIInChI=1S/C10H15N3O4S/c1-10(2,18(3,16)17)7-12-9-6-8(13(14)15)4-5-11-9/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyKACQPXVFTZGMAR-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.22
Rot. Bonds5

About N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine

N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine (PubChem CID 79563520) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine
PubChem CID79563520
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine
SMILESCC(C)(CNc1cc([N+](=O)[O-])ccn1)S(C)(=O)=O
InChIInChI=1S/C10H15N3O4S/c1-10(2,18(3,16)17)7-12-9-6-8(13(14)15)4-5-11-9/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyKACQPXVFTZGMAR-UHFFFAOYSA-N
XLogP1.22
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.22
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'}

Analyze N-(2-methyl-2-methylsulfonylpropyl)-4-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-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine (CID 79563520) is N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine is CC(C)(CNc1cc([N+](=O)[O-])ccn1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine?
The InChIKey is KACQPXVFTZGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(2,18(3,16)17)7-12-9-6-8(13(14)15)4-5-11-9/h4-6H,7H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine has a molecular weight of 273.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 79563520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).