N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine

C8H20N2S — CID 167101459

IUPACN-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
SMILESCC(C)N(C)CCCN(C)S
InChIInChI=1S/C8H20N2S/c1-8(2)9(3)6-5-7-10(4)11/h8,11H,5-7H2,1-4H3
InChIKeyLUWMNYDKWJNYFD-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.49
Rot. Bonds5

About N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine

N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine (PubChem CID 167101459) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
PubChem CID167101459
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC NameN-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
SMILESCC(C)N(C)CCCN(C)S
InChIInChI=1S/C8H20N2S/c1-8(2)9(3)6-5-7-10(4)11/h8,11H,5-7H2,1-4H3
InChIKeyLUWMNYDKWJNYFD-UHFFFAOYSA-N
XLogP1.49
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine 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-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine?
The IUPAC name of N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine (CID 167101459) is N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine.
What is the SMILES notation for N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine?
The canonical SMILES for N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine is CC(C)N(C)CCCN(C)S.
What is the InChIKey of N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine?
The InChIKey is LUWMNYDKWJNYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-8(2)9(3)6-5-7-10(4)11/h8,11H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine?
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine has a molecular weight of 176.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine is sourced from PubChem (CID 167101459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).