1-methyl-3-(sulfinoamino)cyclobutane

C5H11NO2S — CID 89197526

IUPAC1-methyl-3-(sulfinoamino)cyclobutane
SMILESCC1CC(NS(=O)O)C1
InChIInChI=1S/C5H11NO2S/c1-4-2-5(3-4)6-9(7)8/h4-6H,2-3H2,1H3,(H,7,8)
InChIKeyLSSPRXYAZXRKSY-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.51
Rot. Bonds2

About 1-methyl-3-(sulfinoamino)cyclobutane

1-methyl-3-(sulfinoamino)cyclobutane (PubChem CID 89197526) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-methyl-3-(sulfinoamino)cyclobutane.

Molecular Properties

Compound Name1-methyl-3-(sulfinoamino)cyclobutane
PubChem CID89197526
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name1-methyl-3-(sulfinoamino)cyclobutane
SMILESCC1CC(NS(=O)O)C1
InChIInChI=1S/C5H11NO2S/c1-4-2-5(3-4)6-9(7)8/h4-6H,2-3H2,1H3,(H,7,8)
InChIKeyLSSPRXYAZXRKSY-UHFFFAOYSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.51
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-methyl-3-(sulfinoamino)cyclobutane?
The IUPAC name of 1-methyl-3-(sulfinoamino)cyclobutane (CID 89197526) is 1-methyl-3-(sulfinoamino)cyclobutane.
What is the SMILES notation for 1-methyl-3-(sulfinoamino)cyclobutane?
The canonical SMILES for 1-methyl-3-(sulfinoamino)cyclobutane is CC1CC(NS(=O)O)C1.
What is the InChIKey of 1-methyl-3-(sulfinoamino)cyclobutane?
The InChIKey is LSSPRXYAZXRKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-2-5(3-4)6-9(7)8/h4-6H,2-3H2,1H3,(H,7,8).
What are the key properties of 1-methyl-3-(sulfinoamino)cyclobutane?
1-methyl-3-(sulfinoamino)cyclobutane has a molecular weight of 149.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(sulfinoamino)cyclobutane is sourced from PubChem (CID 89197526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).