N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine

C9H16N2O3S — CID 61057665

IUPACN-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine
SMILESO=S1(=O)CCC(N2CCC(=NO)CC2)C1
InChIInChI=1S/C9H16N2O3S/c12-10-8-1-4-11(5-2-8)9-3-6-15(13,14)7-9/h9,12H,1-7H2
InChIKeyWTTNBIQRVJIQQE-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.10
Rot. Bonds1

About N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine

N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine (PubChem CID 61057665) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine
PubChem CID61057665
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine
SMILESO=S1(=O)CCC(N2CCC(=NO)CC2)C1
InChIInChI=1S/C9H16N2O3S/c12-10-8-1-4-11(5-2-8)9-3-6-15(13,14)7-9/h9,12H,1-7H2
InChIKeyWTTNBIQRVJIQQE-UHFFFAOYSA-N
XLogP0.10
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine (CID 61057665) is N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine is O=S1(=O)CCC(N2CCC(=NO)CC2)C1.
What is the InChIKey of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is WTTNBIQRVJIQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c12-10-8-1-4-11(5-2-8)9-3-6-15(13,14)7-9/h9,12H,1-7H2.
What are the key properties of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine?
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 232.30 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 61057665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).