N-(3-methylpentan-3-yl)thiohydroxylamine

C6H15NS — CID 129276013

IUPACN-(3-methylpentan-3-yl)thiohydroxylamine
SMILESCCC(C)(CC)NS
InChIInChI=1S/C6H15NS/c1-4-6(3,5-2)7-8/h7-8H,4-5H2,1-3H3
InChIKeyCZGAZQFOQNLGJS-UHFFFAOYSA-N
MW133.26 g/mol
LogP2.00
Rot. Bonds3

About N-(3-methylpentan-3-yl)thiohydroxylamine

N-(3-methylpentan-3-yl)thiohydroxylamine (PubChem CID 129276013) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)thiohydroxylamine
PubChem CID129276013
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-(3-methylpentan-3-yl)thiohydroxylamine
SMILESCCC(C)(CC)NS
InChIInChI=1S/C6H15NS/c1-4-6(3,5-2)7-8/h7-8H,4-5H2,1-3H3
InChIKeyCZGAZQFOQNLGJS-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)thiohydroxylamine?
The IUPAC name of N-(3-methylpentan-3-yl)thiohydroxylamine (CID 129276013) is N-(3-methylpentan-3-yl)thiohydroxylamine.
What is the SMILES notation for N-(3-methylpentan-3-yl)thiohydroxylamine?
The canonical SMILES for N-(3-methylpentan-3-yl)thiohydroxylamine is CCC(C)(CC)NS.
What is the InChIKey of N-(3-methylpentan-3-yl)thiohydroxylamine?
The InChIKey is CZGAZQFOQNLGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-6(3,5-2)7-8/h7-8H,4-5H2,1-3H3.
What are the key properties of N-(3-methylpentan-3-yl)thiohydroxylamine?
N-(3-methylpentan-3-yl)thiohydroxylamine has a molecular weight of 133.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)thiohydroxylamine is sourced from PubChem (CID 129276013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).