(sulfinoamino)ethane

C2H7NO2S — CID 18359531

IUPAC(sulfinoamino)ethane
SMILESCCNS(=O)O
InChIInChI=1S/C2H7NO2S/c1-2-3-6(4)5/h3H,2H2,1H3,(H,4,5)
InChIKeyBCWVHVPMCWFEJH-UHFFFAOYSA-N
MW109.15 g/mol
LogP-0.27
Rot. Bonds2

About (sulfinoamino)ethane

(sulfinoamino)ethane (PubChem CID 18359531) has the molecular formula C2H7NO2S and a molecular weight of 109.15 g/mol. Its IUPAC name is (sulfinoamino)ethane.

Molecular Properties

Compound Name(sulfinoamino)ethane
PubChem CID18359531
Molecular FormulaC2H7NO2S
Molecular Weight109.15 g/mol
Exact Mass109.02
IUPAC Name(sulfinoamino)ethane
SMILESCCNS(=O)O
InChIInChI=1S/C2H7NO2S/c1-2-3-6(4)5/h3H,2H2,1H3,(H,4,5)
InChIKeyBCWVHVPMCWFEJH-UHFFFAOYSA-N
XLogP-0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (sulfinoamino)ethane?
The IUPAC name of (sulfinoamino)ethane (CID 18359531) is (sulfinoamino)ethane.
What is the SMILES notation for (sulfinoamino)ethane?
The canonical SMILES for (sulfinoamino)ethane is CCNS(=O)O.
What is the InChIKey of (sulfinoamino)ethane?
The InChIKey is BCWVHVPMCWFEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2S/c1-2-3-6(4)5/h3H,2H2,1H3,(H,4,5).
What are the key properties of (sulfinoamino)ethane?
(sulfinoamino)ethane has a molecular weight of 109.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinoamino)ethane is sourced from PubChem (CID 18359531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).