N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine

C8H22N2OS2 — CID 171794531

IUPACN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
SMILESCSOS(C)(C)CN(C)CCCN
InChIInChI=1S/C8H22N2OS2/c1-10(7-5-6-9)8-13(3,4)11-12-2/h5-9H2,1-4H3
InChIKeyZEHWTBJOEKGPHI-UHFFFAOYSA-N
MW226.41 g/mol
LogP1.50
Rot. Bonds7

About N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine

N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine (PubChem CID 171794531) has the molecular formula C8H22N2OS2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
PubChem CID171794531
Molecular FormulaC8H22N2OS2
Molecular Weight226.41 g/mol
Exact Mass226.12
IUPAC NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
SMILESCSOS(C)(C)CN(C)CCCN
InChIInChI=1S/C8H22N2OS2/c1-10(7-5-6-9)8-13(3,4)11-12-2/h5-9H2,1-4H3
InChIKeyZEHWTBJOEKGPHI-UHFFFAOYSA-N
XLogP1.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[dimethyl(methylsulfanyl)-lambda4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine
CID 123554832
N',N'-dimethyl-N-(methylsulfanylmethyl)propane-1,3-diamine
CID 123779361
N-[3-(dimethylamino)propyl]methanesulfinamide;ethane
CID 145388779
N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane
CID 145388824
N'-[[[[3-aminopropyl(methyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954460
N'-[[[(3-aminopropylamino)methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]propane-1,3-diamine
CID 170954462
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine
CID 170954466
N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
CID 170954469
N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954473
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine
CID 171794530
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
CID 170954467

Frequently Asked Questions

What is the IUPAC name of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine (CID 171794531) is N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine is CSOS(C)(C)CN(C)CCCN.
What is the InChIKey of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is ZEHWTBJOEKGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2OS2/c1-10(7-5-6-9)8-13(3,4)11-12-2/h5-9H2,1-4H3.
What are the key properties of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 171794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).