cyclobutyl-imino-methyl-oxo-λ6-sulfane

C5H11NOS — CID 167262038

IUPACcyclobutyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCC1
InChIInChI=1S/C5H11NOS/c1-8(6,7)5-3-2-4-5/h5-6H,2-4H2,1H3
InChIKeyCQTQICWYABIFJN-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.22
Rot. Bonds1

About cyclobutyl-imino-methyl-oxo-λ6-sulfane

cyclobutyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 167262038) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is cyclobutyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclobutyl-imino-methyl-oxo-λ6-sulfane
PubChem CID167262038
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Namecyclobutyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCC1
InChIInChI=1S/C5H11NOS/c1-8(6,7)5-3-2-4-5/h5-6H,2-4H2,1H3
InChIKeyCQTQICWYABIFJN-UHFFFAOYSA-N
XLogP1.22
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of cyclobutyl-imino-methyl-oxo-λ6-sulfane (CID 167262038) is cyclobutyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for cyclobutyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for cyclobutyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)C1CCC1.
What is the InChIKey of cyclobutyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is CQTQICWYABIFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-8(6,7)5-3-2-4-5/h5-6H,2-4H2,1H3.
What are the key properties of cyclobutyl-imino-methyl-oxo-λ6-sulfane?
cyclobutyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 133.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 167262038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).