O-(3-sulfanylbutyl)hydroxylamine

C4H11NOS — CID 154726121

IUPACO-(3-sulfanylbutyl)hydroxylamine
SMILESCC(S)CCON
InChIInChI=1S/C4H11NOS/c1-4(7)2-3-6-5/h4,7H,2-3,5H2,1H3
InChIKeyJFMXXZZBXQTYAL-UHFFFAOYSA-N
MW121.20 g/mol
LogP0.59
Rot. Bonds3

About O-(3-sulfanylbutyl)hydroxylamine

O-(3-sulfanylbutyl)hydroxylamine (PubChem CID 154726121) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is O-(3-sulfanylbutyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-sulfanylbutyl)hydroxylamine
PubChem CID154726121
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameO-(3-sulfanylbutyl)hydroxylamine
SMILESCC(S)CCON
InChIInChI=1S/C4H11NOS/c1-4(7)2-3-6-5/h4,7H,2-3,5H2,1H3
InChIKeyJFMXXZZBXQTYAL-UHFFFAOYSA-N
XLogP0.59
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
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 O-(3-sulfanylbutyl)hydroxylamine?
The IUPAC name of O-(3-sulfanylbutyl)hydroxylamine (CID 154726121) is O-(3-sulfanylbutyl)hydroxylamine.
What is the SMILES notation for O-(3-sulfanylbutyl)hydroxylamine?
The canonical SMILES for O-(3-sulfanylbutyl)hydroxylamine is CC(S)CCON.
What is the InChIKey of O-(3-sulfanylbutyl)hydroxylamine?
The InChIKey is JFMXXZZBXQTYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(7)2-3-6-5/h4,7H,2-3,5H2,1H3.
What are the key properties of O-(3-sulfanylbutyl)hydroxylamine?
O-(3-sulfanylbutyl)hydroxylamine has a molecular weight of 121.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-sulfanylbutyl)hydroxylamine is sourced from PubChem (CID 154726121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).