1-ethoxy-2-(sulfinatoamino)ethane

C4H10NO3S- — CID 57177456

IUPAC1-ethoxy-2-(sulfinatoamino)ethane
SMILESCCOCCNS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-2-8-4-3-5-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyBVINOFCAELAWNM-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.59
Rot. Bonds5

About 1-ethoxy-2-(sulfinatoamino)ethane

1-ethoxy-2-(sulfinatoamino)ethane (PubChem CID 57177456) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-ethoxy-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(sulfinatoamino)ethane
PubChem CID57177456
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name1-ethoxy-2-(sulfinatoamino)ethane
SMILESCCOCCNS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-2-8-4-3-5-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyBVINOFCAELAWNM-UHFFFAOYSA-M
XLogP-0.59
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(sulfinatoamino)ethane?
The IUPAC name of 1-ethoxy-2-(sulfinatoamino)ethane (CID 57177456) is 1-ethoxy-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-ethoxy-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-ethoxy-2-(sulfinatoamino)ethane is CCOCCNS(=O)[O-].
What is the InChIKey of 1-ethoxy-2-(sulfinatoamino)ethane?
The InChIKey is BVINOFCAELAWNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c1-2-8-4-3-5-9(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1.
What are the key properties of 1-ethoxy-2-(sulfinatoamino)ethane?
1-ethoxy-2-(sulfinatoamino)ethane has a molecular weight of 152.19 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(sulfinatoamino)ethane is sourced from PubChem (CID 57177456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).