2-(trioxidanylsulfanyl)ethanamine

C2H7NO3S — CID 59346053

IUPAC2-(trioxidanylsulfanyl)ethanamine
SMILESNCCSOOO
InChIInChI=1S/C2H7NO3S/c3-1-2-7-6-5-4/h4H,1-3H2
InChIKeyGSWWFASCQQTKJQ-UHFFFAOYSA-N
MW125.15 g/mol
LogP0.01
Rot. Bonds4

About 2-(trioxidanylsulfanyl)ethanamine

2-(trioxidanylsulfanyl)ethanamine (PubChem CID 59346053) has the molecular formula C2H7NO3S and a molecular weight of 125.15 g/mol. Its IUPAC name is 2-(trioxidanylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(trioxidanylsulfanyl)ethanamine
PubChem CID59346053
Molecular FormulaC2H7NO3S
Molecular Weight125.15 g/mol
Exact Mass125.01
IUPAC Name2-(trioxidanylsulfanyl)ethanamine
SMILESNCCSOOO
InChIInChI=1S/C2H7NO3S/c3-1-2-7-6-5-4/h4H,1-3H2
InChIKeyGSWWFASCQQTKJQ-UHFFFAOYSA-N
XLogP0.01
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trioxidanylsulfanyl)ethanamine?
The IUPAC name of 2-(trioxidanylsulfanyl)ethanamine (CID 59346053) is 2-(trioxidanylsulfanyl)ethanamine.
What is the SMILES notation for 2-(trioxidanylsulfanyl)ethanamine?
The canonical SMILES for 2-(trioxidanylsulfanyl)ethanamine is NCCSOOO.
What is the InChIKey of 2-(trioxidanylsulfanyl)ethanamine?
The InChIKey is GSWWFASCQQTKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S/c3-1-2-7-6-5-4/h4H,1-3H2.
What are the key properties of 2-(trioxidanylsulfanyl)ethanamine?
2-(trioxidanylsulfanyl)ethanamine has a molecular weight of 125.15 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trioxidanylsulfanyl)ethanamine is sourced from PubChem (CID 59346053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).