1-aminooxy-2-(sulfinoamino)ethane

C2H8N2O3S — CID 163917015

IUPAC1-aminooxy-2-(sulfinoamino)ethane
SMILESNOCCNS(=O)O
InChIInChI=1S/C2H8N2O3S/c3-7-2-1-4-8(5)6/h4H,1-3H2,(H,5,6)
InChIKeyVDXZCQRGNCTABH-UHFFFAOYSA-N
MW140.16 g/mol
LogP-1.40
Rot. Bonds4

About 1-aminooxy-2-(sulfinoamino)ethane

1-aminooxy-2-(sulfinoamino)ethane (PubChem CID 163917015) has the molecular formula C2H8N2O3S and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-aminooxy-2-(sulfinoamino)ethane.

Molecular Properties

Compound Name1-aminooxy-2-(sulfinoamino)ethane
PubChem CID163917015
Molecular FormulaC2H8N2O3S
Molecular Weight140.16 g/mol
Exact Mass140.03
IUPAC Name1-aminooxy-2-(sulfinoamino)ethane
SMILESNOCCNS(=O)O
InChIInChI=1S/C2H8N2O3S/c3-7-2-1-4-8(5)6/h4H,1-3H2,(H,5,6)
InChIKeyVDXZCQRGNCTABH-UHFFFAOYSA-N
XLogP-1.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethoxy]-2-(sulfinoamino)ethane
CID 167001842
1-(2-aminoethoxy)-3-(sulfinoamino)propane
CID 146230326
2-(sulfinoamino)ethoxycarbonylcyclopentane
CID 146769599
2-(sulfinoamino)ethoxybenzene
CID 19891359
1-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
amino-(sulfinoamino)methane
CID 174302377
1-(carbamoylamino)-2-(sulfinoamino)ethane
CID 90313674
1-(3-methoxypropoxy)-3-(sulfinoamino)propane
CID 23002745
1-nitro-2-(sulfinoamino)ethane
CID 91512244
3-(2-aminooxyethylamino)propan-1-ol
CID 126756651
1-fluoro-5-(sulfinoamino)pentane
CID 91169380
ethane;O-[2-(ethylamino)ethyl]hydroxylamine
CID 172573292

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-2-(sulfinoamino)ethane?
The IUPAC name of 1-aminooxy-2-(sulfinoamino)ethane (CID 163917015) is 1-aminooxy-2-(sulfinoamino)ethane.
What is the SMILES notation for 1-aminooxy-2-(sulfinoamino)ethane?
The canonical SMILES for 1-aminooxy-2-(sulfinoamino)ethane is NOCCNS(=O)O.
What is the InChIKey of 1-aminooxy-2-(sulfinoamino)ethane?
The InChIKey is VDXZCQRGNCTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S/c3-7-2-1-4-8(5)6/h4H,1-3H2,(H,5,6).
What are the key properties of 1-aminooxy-2-(sulfinoamino)ethane?
1-aminooxy-2-(sulfinoamino)ethane has a molecular weight of 140.16 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-2-(sulfinoamino)ethane is sourced from PubChem (CID 163917015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).