O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine

C6H13NO3S — CID 117104622

IUPACO-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
SMILESCC(ON)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c1-5(10-7)6-2-3-11(8,9)4-6/h5-6H,2-4,7H2,1H3
InChIKeyPAKYFQRSWCNUFQ-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.30
Rot. Bonds2

About O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine

O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine (PubChem CID 117104622) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
PubChem CID117104622
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameO-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
SMILESCC(ON)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c1-5(10-7)6-2-3-11(8,9)4-6/h5-6H,2-4,7H2,1H3
InChIKeyPAKYFQRSWCNUFQ-UHFFFAOYSA-N
XLogP-0.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
CID 115020988
3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
CID 62913879
1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612
2-(1,1-dioxothiolan-3-yl)propanoate
CID 57370501
2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
CID 103984175
2-(1,1-dioxothiolan-3-yl)-2-methoxyacetaldehyde
CID 115019035
1-(1,1-dioxothian-3-yl)ethanamine
CID 66436765
2-(1,1-dioxothiolan-3-yl)propanediamide
CID 3152336
2-[(3R)-1,1-dioxothiolan-3-yl]propanediamide
CID 7073543
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
CID 105258751

Frequently Asked Questions

What is the IUPAC name of O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine?
The IUPAC name of O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine (CID 117104622) is O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine is CC(ON)C1CCS(=O)(=O)C1.
What is the InChIKey of O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine?
The InChIKey is PAKYFQRSWCNUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5(10-7)6-2-3-11(8,9)4-6/h5-6H,2-4,7H2,1H3.
What are the key properties of O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine?
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine has a molecular weight of 179.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117104622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).