N-(4,4-dimethylpentyl)thiohydroxylamine

C7H17NS — CID 134559023

IUPACN-(4,4-dimethylpentyl)thiohydroxylamine
SMILESCC(C)(C)CCCNS
InChIInChI=1S/C7H17NS/c1-7(2,3)5-4-6-8-9/h8-9H,4-6H2,1-3H3
InChIKeyYLEURQCTAJIDMO-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.25
Rot. Bonds3

About N-(4,4-dimethylpentyl)thiohydroxylamine

N-(4,4-dimethylpentyl)thiohydroxylamine (PubChem CID 134559023) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)thiohydroxylamine
PubChem CID134559023
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-(4,4-dimethylpentyl)thiohydroxylamine
SMILESCC(C)(C)CCCNS
InChIInChI=1S/C7H17NS/c1-7(2,3)5-4-6-8-9/h8-9H,4-6H2,1-3H3
InChIKeyYLEURQCTAJIDMO-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethylpentyl)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-(4,4-dimethylpentyl)thiohydroxylamine?
The IUPAC name of N-(4,4-dimethylpentyl)thiohydroxylamine (CID 134559023) is N-(4,4-dimethylpentyl)thiohydroxylamine.
What is the SMILES notation for N-(4,4-dimethylpentyl)thiohydroxylamine?
The canonical SMILES for N-(4,4-dimethylpentyl)thiohydroxylamine is CC(C)(C)CCCNS.
What is the InChIKey of N-(4,4-dimethylpentyl)thiohydroxylamine?
The InChIKey is YLEURQCTAJIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-7(2,3)5-4-6-8-9/h8-9H,4-6H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)thiohydroxylamine?
N-(4,4-dimethylpentyl)thiohydroxylamine has a molecular weight of 147.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)thiohydroxylamine is sourced from PubChem (CID 134559023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).