S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine

C16H36N2O2S — CID 138729250

IUPACS-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine
SMILESCC(C)(N)CC(C)(C)OCCOC(C)(C)CC(C)(C)SN
InChIInChI=1S/C16H36N2O2S/c1-13(2,17)11-14(3,4)19-9-10-20-15(5,6)12-16(7,8)21-18/h9-12,17-18H2,1-8H3
InChIKeyHVXCRUIBNWUKQE-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.48
Rot. Bonds10

About S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine

S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine (PubChem CID 138729250) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine
PubChem CID138729250
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC NameS-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine
SMILESCC(C)(N)CC(C)(C)OCCOC(C)(C)CC(C)(C)SN
InChIInChI=1S/C16H36N2O2S/c1-13(2,17)11-14(3,4)19-9-10-20-15(5,6)12-16(7,8)21-18/h9-12,17-18H2,1-8H3
InChIKeyHVXCRUIBNWUKQE-UHFFFAOYSA-N
XLogP3.48
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
CID 139380192
4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine
CID 166646350
2,4-dimethyl-4-(2-methylpentan-2-yloxy)pentan-2-amine
CID 137447361
4-[3-(5-iminooctan-4-ylideneamino)-3-methylbutoxy]-2,4-dimethylpentan-2-amine
CID 129100610
2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane
CID 164583787
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
CID 165041539
2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228
2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
CID 171508665
2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
CID 89277490
4-[3-[(1,2-dicyclohexyl-2-iminoethylidene)amino]-3-methylbutoxy]-2,4-dimethylpentan-2-amine
CID 129101262
2,4-diamino-4-methylpentan-2-ol
CID 146969207

Frequently Asked Questions

What is the IUPAC name of S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine?
The IUPAC name of S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine (CID 138729250) is S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine.
What is the SMILES notation for S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine?
The canonical SMILES for S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine is CC(C)(N)CC(C)(C)OCCOC(C)(C)CC(C)(C)SN.
What is the InChIKey of S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine?
The InChIKey is HVXCRUIBNWUKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2S/c1-13(2,17)11-14(3,4)19-9-10-20-15(5,6)12-16(7,8)21-18/h9-12,17-18H2,1-8H3.
What are the key properties of S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine?
S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine has a molecular weight of 320.54 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine is sourced from PubChem (CID 138729250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).