N-(thian-4-yl)hydroxylamine

C5H11NOS — CID 82686076

IUPACN-(thian-4-yl)hydroxylamine
SMILESONC1CCSCC1
InChIInChI=1S/C5H11NOS/c7-6-5-1-3-8-4-2-5/h5-7H,1-4H2
InChIKeyATIIHDCKIKMRDR-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.86
Rot. Bonds1

About N-(thian-4-yl)hydroxylamine

N-(thian-4-yl)hydroxylamine (PubChem CID 82686076) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-(thian-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-(thian-4-yl)hydroxylamine
PubChem CID82686076
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-(thian-4-yl)hydroxylamine
SMILESONC1CCSCC1
InChIInChI=1S/C5H11NOS/c7-6-5-1-3-8-4-2-5/h5-7H,1-4H2
InChIKeyATIIHDCKIKMRDR-UHFFFAOYSA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)hydroxylamine?
The IUPAC name of N-(thian-4-yl)hydroxylamine (CID 82686076) is N-(thian-4-yl)hydroxylamine.
What is the SMILES notation for N-(thian-4-yl)hydroxylamine?
The canonical SMILES for N-(thian-4-yl)hydroxylamine is ONC1CCSCC1.
What is the InChIKey of N-(thian-4-yl)hydroxylamine?
The InChIKey is ATIIHDCKIKMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c7-6-5-1-3-8-4-2-5/h5-7H,1-4H2.
What are the key properties of N-(thian-4-yl)hydroxylamine?
N-(thian-4-yl)hydroxylamine has a molecular weight of 133.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)hydroxylamine is sourced from PubChem (CID 82686076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).