N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine

C10H15N3O2S — CID 63966801

IUPACN-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
SMILESCSCC(C)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2S/c1-8(7-16-2)6-12-10-9(13(14)15)4-3-5-11-10/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyAQQWFEPPKMNCOQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.40
Rot. Bonds6

About N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine

N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine (PubChem CID 63966801) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
PubChem CID63966801
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
SMILESCSCC(C)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2S/c1-8(7-16-2)6-12-10-9(13(14)15)4-3-5-11-10/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyAQQWFEPPKMNCOQ-UHFFFAOYSA-N
XLogP2.40
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.40
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'}

Analyze N-(2-methyl-3-methylsulfanylpropyl)-3-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

Related Compounds

N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
N-(2-methyl-3-methylsulfanylpropyl)-2-nitroaniline
CID 63967008
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 63966599
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
2-methyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitroaniline
CID 63967034
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
CID 11608792
3-nitro-N-(3-phenylbutyl)pyridin-2-amine
CID 62404040
3-[(3-nitro-2-pyridinyl)amino]-2-phenylpropanoic acid
CID 13214598

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine (CID 63966801) is N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine is CSCC(C)CNc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
The InChIKey is AQQWFEPPKMNCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8(7-16-2)6-12-10-9(13(14)15)4-3-5-11-10/h3-5,8H,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 63966801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).