N-(2-methylpentyl)thiohydroxylamine

C6H15NS — CID 147797017

IUPACN-(2-methylpentyl)thiohydroxylamine
SMILESCCCC(C)CNS
InChIInChI=1S/C6H15NS/c1-3-4-6(2)5-7-8/h6-8H,3-5H2,1-2H3
InChIKeyHKTNKYKCUJAEQP-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.86
Rot. Bonds4

About N-(2-methylpentyl)thiohydroxylamine

N-(2-methylpentyl)thiohydroxylamine (PubChem CID 147797017) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-(2-methylpentyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-methylpentyl)thiohydroxylamine
PubChem CID147797017
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-(2-methylpentyl)thiohydroxylamine
SMILESCCCC(C)CNS
InChIInChI=1S/C6H15NS/c1-3-4-6(2)5-7-8/h6-8H,3-5H2,1-2H3
InChIKeyHKTNKYKCUJAEQP-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.86
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-(2-methylpentyl)thiohydroxylamine?
The IUPAC name of N-(2-methylpentyl)thiohydroxylamine (CID 147797017) is N-(2-methylpentyl)thiohydroxylamine.
What is the SMILES notation for N-(2-methylpentyl)thiohydroxylamine?
The canonical SMILES for N-(2-methylpentyl)thiohydroxylamine is CCCC(C)CNS.
What is the InChIKey of N-(2-methylpentyl)thiohydroxylamine?
The InChIKey is HKTNKYKCUJAEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-3-4-6(2)5-7-8/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(2-methylpentyl)thiohydroxylamine?
N-(2-methylpentyl)thiohydroxylamine has a molecular weight of 133.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)thiohydroxylamine is sourced from PubChem (CID 147797017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).