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

C9H20N2O2S — CID 58035185

IUPAC3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
SMILESC=S(C)(=O)N(C)C1COCCC1NC
InChIInChI=1S/C9H20N2O2S/c1-10-8-5-6-13-7-9(8)11(2)14(3,4)12/h8-10H,3,5-7H2,1-2,4H3
InChIKeyCBKPPMKILJRWDC-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.44
Rot. Bonds3

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

3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine (PubChem CID 58035185) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
PubChem CID58035185
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine
SMILESC=S(C)(=O)N(C)C1COCCC1NC
InChIInChI=1S/C9H20N2O2S/c1-10-8-5-6-13-7-9(8)11(2)14(3,4)12/h8-10H,3,5-7H2,1-2,4H3
InChIKeyCBKPPMKILJRWDC-UHFFFAOYSA-N
XLogP-0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
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 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The IUPAC name of 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine (CID 58035185) is 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The canonical SMILES for 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine is C=S(C)(=O)N(C)C1COCCC1NC.
What is the InChIKey of 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
The InChIKey is CBKPPMKILJRWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-10-8-5-6-13-7-9(8)11(2)14(3,4)12/h8-10H,3,5-7H2,1-2,4H3.
What are the key properties of 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine?
3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine has a molecular weight of 220.34 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethyl-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)oxane-3,4-diamine is sourced from PubChem (CID 58035185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).