N-(thiolan-3-ylidene)hydroxylamine

C4H7NOS — CID 2777413

IUPACN-(thiolan-3-ylidene)hydroxylamine
SMILESON=C1CCSC1
InChIInChI=1S/C4H7NOS/c6-5-4-1-2-7-3-4/h6H,1-3H2
InChIKeyDWWREQRWOXEVGY-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.95
Rot. Bonds

About N-(thiolan-3-ylidene)hydroxylamine

N-(thiolan-3-ylidene)hydroxylamine (PubChem CID 2777413) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is N-(thiolan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(thiolan-3-ylidene)hydroxylamine
PubChem CID2777413
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC NameN-(thiolan-3-ylidene)hydroxylamine
SMILESON=C1CCSC1
InChIInChI=1S/C4H7NOS/c6-5-4-1-2-7-3-4/h6H,1-3H2
InChIKeyDWWREQRWOXEVGY-UHFFFAOYSA-N
XLogP0.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylidene)hydroxylamine?
The IUPAC name of N-(thiolan-3-ylidene)hydroxylamine (CID 2777413) is N-(thiolan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(thiolan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(thiolan-3-ylidene)hydroxylamine is ON=C1CCSC1.
What is the InChIKey of N-(thiolan-3-ylidene)hydroxylamine?
The InChIKey is DWWREQRWOXEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c6-5-4-1-2-7-3-4/h6H,1-3H2.
What are the key properties of N-(thiolan-3-ylidene)hydroxylamine?
N-(thiolan-3-ylidene)hydroxylamine has a molecular weight of 117.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylidene)hydroxylamine is sourced from PubChem (CID 2777413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).