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

C10H22N2O2S — CID 58035322

IUPAC3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
SMILESC=S(C)(=O)N(C)C1COCCC1N(C)C
InChIInChI=1S/C10H22N2O2S/c1-11(2)9-6-7-14-8-10(9)12(3)15(4,5)13/h9-10H,4,6-8H2,1-3,5H3
InChIKeyVLHVWSZWDSACRP-UHFFFAOYSA-N
MW234.36 g/mol
LogP-0.10
Rot. Bonds3

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

3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine (PubChem CID 58035322) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
PubChem CID58035322
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
SMILESC=S(C)(=O)N(C)C1COCCC1N(C)C
InChIInChI=1S/C10H22N2O2S/c1-11(2)9-6-7-14-8-10(9)12(3)15(4,5)13/h9-10H,4,6-8H2,1-3,5H3
InChIKeyVLHVWSZWDSACRP-UHFFFAOYSA-N
XLogP-0.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-methyl-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)oxane-3,4-diamine
CID 58035061
3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)oxane-3,4-diamine
CID 58035185
4-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)oxane-3,4-diamine
CID 58035380
N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide
CID 70883074

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The IUPAC name of 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine (CID 58035322) is 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The canonical SMILES for 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine is C=S(C)(=O)N(C)C1COCCC1N(C)C.
What is the InChIKey of 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The InChIKey is VLHVWSZWDSACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-11(2)9-6-7-14-8-10(9)12(3)15(4,5)13/h9-10H,4,6-8H2,1-3,5H3.
What are the key properties of 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine has a molecular weight of 234.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine is sourced from PubChem (CID 58035322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).