4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine

C8H18N2O2S — CID 58035061

IUPAC4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
SMILESC=S(C)(=O)NC1COCCC1NC
InChIInChI=1S/C8H18N2O2S/c1-9-7-4-5-12-6-8(7)10-13(2,3)11/h7-9H,2,4-6H2,1,3H3,(H,10,11)
InChIKeyWLFBOOXOUWOQJJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.79
Rot. Bonds3

About 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine

4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine (PubChem CID 58035061) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
PubChem CID58035061
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
SMILESC=S(C)(=O)NC1COCCC1NC
InChIInChI=1S/C8H18N2O2S/c1-9-7-4-5-12-6-8(7)10-13(2,3)11/h7-9H,2,4-6H2,1,3H3,(H,10,11)
InChIKeyWLFBOOXOUWOQJJ-UHFFFAOYSA-N
XLogP-0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine (CID 58035061) is 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine is C=S(C)(=O)NC1COCCC1NC.
What is the InChIKey of 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The InChIKey is WLFBOOXOUWOQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-9-7-4-5-12-6-8(7)10-13(2,3)11/h7-9H,2,4-6H2,1,3H3,(H,10,11).
What are the key properties of 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine has a molecular weight of 206.31 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine is sourced from PubChem (CID 58035061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).