N-(cyclobutylmethyl)thiohydroxylamine

C5H11NS — CID 118601789

IUPACN-(cyclobutylmethyl)thiohydroxylamine
SMILESSNCC1CCC1
InChIInChI=1S/C5H11NS/c7-6-4-5-2-1-3-5/h5-7H,1-4H2
InChIKeyWWYGRNDARTYSNP-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.22
Rot. Bonds2

About N-(cyclobutylmethyl)thiohydroxylamine

N-(cyclobutylmethyl)thiohydroxylamine (PubChem CID 118601789) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-(cyclobutylmethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)thiohydroxylamine
PubChem CID118601789
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-(cyclobutylmethyl)thiohydroxylamine
SMILESSNCC1CCC1
InChIInChI=1S/C5H11NS/c7-6-4-5-2-1-3-5/h5-7H,1-4H2
InChIKeyWWYGRNDARTYSNP-UHFFFAOYSA-N
XLogP1.22
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.22
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-(cyclobutylmethyl)thiohydroxylamine?
The IUPAC name of N-(cyclobutylmethyl)thiohydroxylamine (CID 118601789) is N-(cyclobutylmethyl)thiohydroxylamine.
What is the SMILES notation for N-(cyclobutylmethyl)thiohydroxylamine?
The canonical SMILES for N-(cyclobutylmethyl)thiohydroxylamine is SNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)thiohydroxylamine?
The InChIKey is WWYGRNDARTYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c7-6-4-5-2-1-3-5/h5-7H,1-4H2.
What are the key properties of N-(cyclobutylmethyl)thiohydroxylamine?
N-(cyclobutylmethyl)thiohydroxylamine has a molecular weight of 117.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)thiohydroxylamine is sourced from PubChem (CID 118601789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).