imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane

C5H13NOS — CID 118931484

IUPACimino-methyl-(2-methylpropyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC(C)C
InChIInChI=1S/C5H13NOS/c1-5(2)4-8(3,6)7/h5-6H,4H2,1-3H3
InChIKeyZWMHGNZKFRFIMM-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.32
Rot. Bonds2

About imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane

imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane (PubChem CID 118931484) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(2-methylpropyl)-oxo-λ6-sulfane
PubChem CID118931484
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Nameimino-methyl-(2-methylpropyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC(C)C
InChIInChI=1S/C5H13NOS/c1-5(2)4-8(3,6)7/h5-6H,4H2,1-3H3
InChIKeyZWMHGNZKFRFIMM-UHFFFAOYSA-N
XLogP1.32
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane (CID 118931484) is imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane is [H]N=S(C)(=O)CC(C)C.
What is the InChIKey of imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane?
The InChIKey is ZWMHGNZKFRFIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(2)4-8(3,6)7/h5-6H,4H2,1-3H3.
What are the key properties of imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane?
imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane has a molecular weight of 135.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(2-methylpropyl)-oxo-λ6-sulfane is sourced from PubChem (CID 118931484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).