1-methyl-1-(sulfinatoamino)cyclobutane

C5H10NO2S- — CID 156557764

IUPAC1-methyl-1-(sulfinatoamino)cyclobutane
SMILESCC1(NS(=O)[O-])CCC1
InChIInChI=1S/C5H11NO2S/c1-5(3-2-4-5)6-9(7)8/h6H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyBLJFVNCUFVTENO-UHFFFAOYSA-M
MW148.21 g/mol
LogP0.31
Rot. Bonds2

About 1-methyl-1-(sulfinatoamino)cyclobutane

1-methyl-1-(sulfinatoamino)cyclobutane (PubChem CID 156557764) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-methyl-1-(sulfinatoamino)cyclobutane.

Molecular Properties

Compound Name1-methyl-1-(sulfinatoamino)cyclobutane
PubChem CID156557764
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name1-methyl-1-(sulfinatoamino)cyclobutane
SMILESCC1(NS(=O)[O-])CCC1
InChIInChI=1S/C5H11NO2S/c1-5(3-2-4-5)6-9(7)8/h6H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyBLJFVNCUFVTENO-UHFFFAOYSA-M
XLogP0.31
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-1-(sulfinatoamino)cyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(sulfinatoamino)cyclobutane?
The IUPAC name of 1-methyl-1-(sulfinatoamino)cyclobutane (CID 156557764) is 1-methyl-1-(sulfinatoamino)cyclobutane.
What is the SMILES notation for 1-methyl-1-(sulfinatoamino)cyclobutane?
The canonical SMILES for 1-methyl-1-(sulfinatoamino)cyclobutane is CC1(NS(=O)[O-])CCC1.
What is the InChIKey of 1-methyl-1-(sulfinatoamino)cyclobutane?
The InChIKey is BLJFVNCUFVTENO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c1-5(3-2-4-5)6-9(7)8/h6H,2-4H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-methyl-1-(sulfinatoamino)cyclobutane?
1-methyl-1-(sulfinatoamino)cyclobutane has a molecular weight of 148.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(sulfinatoamino)cyclobutane is sourced from PubChem (CID 156557764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).