1-ethyl-1-(sulfinoamino)cyclobutane

C6H13NO2S — CID 89159662

IUPAC1-ethyl-1-(sulfinoamino)cyclobutane
SMILESCCC1(NS(=O)O)CCC1
InChIInChI=1S/C6H13NO2S/c1-2-6(4-3-5-6)7-10(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyXUEIELMJJLOZCI-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds3

About 1-ethyl-1-(sulfinoamino)cyclobutane

1-ethyl-1-(sulfinoamino)cyclobutane (PubChem CID 89159662) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-ethyl-1-(sulfinoamino)cyclobutane.

Molecular Properties

Compound Name1-ethyl-1-(sulfinoamino)cyclobutane
PubChem CID89159662
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-ethyl-1-(sulfinoamino)cyclobutane
SMILESCCC1(NS(=O)O)CCC1
InChIInChI=1S/C6H13NO2S/c1-2-6(4-3-5-6)7-10(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyXUEIELMJJLOZCI-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
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 1-ethyl-1-(sulfinoamino)cyclobutane?
The IUPAC name of 1-ethyl-1-(sulfinoamino)cyclobutane (CID 89159662) is 1-ethyl-1-(sulfinoamino)cyclobutane.
What is the SMILES notation for 1-ethyl-1-(sulfinoamino)cyclobutane?
The canonical SMILES for 1-ethyl-1-(sulfinoamino)cyclobutane is CCC1(NS(=O)O)CCC1.
What is the InChIKey of 1-ethyl-1-(sulfinoamino)cyclobutane?
The InChIKey is XUEIELMJJLOZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-6(4-3-5-6)7-10(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 1-ethyl-1-(sulfinoamino)cyclobutane?
1-ethyl-1-(sulfinoamino)cyclobutane has a molecular weight of 163.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(sulfinoamino)cyclobutane is sourced from PubChem (CID 89159662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).