tert-butyl-imino-methyl-oxo-λ6-sulfane

C5H13NOS — CID 21045363

IUPACtert-butyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C(C)(C)C
InChIInChI=1S/C5H13NOS/c1-5(2,3)8(4,6)7/h6H,1-4H3
InChIKeyZJUMQDAODKLMFI-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.46
Rot. Bonds

About tert-butyl-imino-methyl-oxo-λ6-sulfane

tert-butyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 21045363) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is tert-butyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-imino-methyl-oxo-λ6-sulfane
PubChem CID21045363
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Nametert-butyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C(C)(C)C
InChIInChI=1S/C5H13NOS/c1-5(2,3)8(4,6)7/h6H,1-4H3
InChIKeyZJUMQDAODKLMFI-UHFFFAOYSA-N
XLogP1.46
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of tert-butyl-imino-methyl-oxo-λ6-sulfane (CID 21045363) is tert-butyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for tert-butyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for tert-butyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)C(C)(C)C.
What is the InChIKey of tert-butyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is ZJUMQDAODKLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(2,3)8(4,6)7/h6H,1-4H3.
What are the key properties of tert-butyl-imino-methyl-oxo-λ6-sulfane?
tert-butyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 135.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 21045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).