N-(4-methylpentyl)thiohydroxylamine

C6H15NS — CID 89311013

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

About N-(4-methylpentyl)thiohydroxylamine

N-(4-methylpentyl)thiohydroxylamine (PubChem CID 89311013) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-(4-methylpentyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(4-methylpentyl)thiohydroxylamine
PubChem CID89311013
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-(4-methylpentyl)thiohydroxylamine
SMILESCC(C)CCCNS
InChIInChI=1S/C6H15NS/c1-6(2)4-3-5-7-8/h6-8H,3-5H2,1-2H3
InChIKeyTUKDMMQDQHYLJH-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)thiohydroxylamine?
The IUPAC name of N-(4-methylpentyl)thiohydroxylamine (CID 89311013) is N-(4-methylpentyl)thiohydroxylamine.
What is the SMILES notation for N-(4-methylpentyl)thiohydroxylamine?
The canonical SMILES for N-(4-methylpentyl)thiohydroxylamine is CC(C)CCCNS.
What is the InChIKey of N-(4-methylpentyl)thiohydroxylamine?
The InChIKey is TUKDMMQDQHYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-6(2)4-3-5-7-8/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(4-methylpentyl)thiohydroxylamine?
N-(4-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-(4-methylpentyl)thiohydroxylamine is sourced from PubChem (CID 89311013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).