1-ethyl-3-(sulfinatoamino)cyclobutane

C6H12NO2S- — CID 130451284

IUPAC1-ethyl-3-(sulfinatoamino)cyclobutane
SMILESCCC1CC(NS(=O)[O-])C1
InChIInChI=1S/C6H13NO2S/c1-2-5-3-6(4-5)7-10(8)9/h5-7H,2-4H2,1H3,(H,8,9)/p-1
InChIKeyHSYVKRFTDJFFKG-UHFFFAOYSA-M
MW162.23 g/mol
LogP0.56
Rot. Bonds3

About 1-ethyl-3-(sulfinatoamino)cyclobutane

1-ethyl-3-(sulfinatoamino)cyclobutane (PubChem CID 130451284) has the molecular formula C6H12NO2S- and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-ethyl-3-(sulfinatoamino)cyclobutane.

Molecular Properties

Compound Name1-ethyl-3-(sulfinatoamino)cyclobutane
PubChem CID130451284
Molecular FormulaC6H12NO2S-
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name1-ethyl-3-(sulfinatoamino)cyclobutane
SMILESCCC1CC(NS(=O)[O-])C1
InChIInChI=1S/C6H13NO2S/c1-2-5-3-6(4-5)7-10(8)9/h5-7H,2-4H2,1H3,(H,8,9)/p-1
InChIKeyHSYVKRFTDJFFKG-UHFFFAOYSA-M
XLogP0.56
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-(sulfinatoamino)cyclobutane?
The IUPAC name of 1-ethyl-3-(sulfinatoamino)cyclobutane (CID 130451284) is 1-ethyl-3-(sulfinatoamino)cyclobutane.
What is the SMILES notation for 1-ethyl-3-(sulfinatoamino)cyclobutane?
The canonical SMILES for 1-ethyl-3-(sulfinatoamino)cyclobutane is CCC1CC(NS(=O)[O-])C1.
What is the InChIKey of 1-ethyl-3-(sulfinatoamino)cyclobutane?
The InChIKey is HSYVKRFTDJFFKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2S/c1-2-5-3-6(4-5)7-10(8)9/h5-7H,2-4H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-ethyl-3-(sulfinatoamino)cyclobutane?
1-ethyl-3-(sulfinatoamino)cyclobutane has a molecular weight of 162.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(sulfinatoamino)cyclobutane is sourced from PubChem (CID 130451284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).