N-(cyclohexylamino)thiohydroxylamine

C6H14N2S — CID 142256440

IUPACN-(cyclohexylamino)thiohydroxylamine
SMILESSNNC1CCCCC1
InChIInChI=1S/C6H14N2S/c9-8-7-6-4-2-1-3-5-6/h6-9H,1-5H2
InChIKeyQIXBIGWGZDCZEJ-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.26
Rot. Bonds2

About N-(cyclohexylamino)thiohydroxylamine

N-(cyclohexylamino)thiohydroxylamine (PubChem CID 142256440) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-(cyclohexylamino)thiohydroxylamine.

Molecular Properties

Compound NameN-(cyclohexylamino)thiohydroxylamine
PubChem CID142256440
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-(cyclohexylamino)thiohydroxylamine
SMILESSNNC1CCCCC1
InChIInChI=1S/C6H14N2S/c9-8-7-6-4-2-1-3-5-6/h6-9H,1-5H2
InChIKeyQIXBIGWGZDCZEJ-UHFFFAOYSA-N
XLogP1.26
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylamino)thiohydroxylamine?
The IUPAC name of N-(cyclohexylamino)thiohydroxylamine (CID 142256440) is N-(cyclohexylamino)thiohydroxylamine.
What is the SMILES notation for N-(cyclohexylamino)thiohydroxylamine?
The canonical SMILES for N-(cyclohexylamino)thiohydroxylamine is SNNC1CCCCC1.
What is the InChIKey of N-(cyclohexylamino)thiohydroxylamine?
The InChIKey is QIXBIGWGZDCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c9-8-7-6-4-2-1-3-5-6/h6-9H,1-5H2.
What are the key properties of N-(cyclohexylamino)thiohydroxylamine?
N-(cyclohexylamino)thiohydroxylamine has a molecular weight of 146.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylamino)thiohydroxylamine is sourced from PubChem (CID 142256440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).