N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine

C12H34N4OS2 — CID 171794868

IUPACN'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CS(C)(C)OS(C)(C)CN(C)CCN
InChIInChI=1S/C12H34N4OS2/c1-15(9-7-13)11-18(3,4)17-19(5,6)12-16(2)10-8-14/h7-14H2,1-6H3
InChIKeyNVBOCNBFKMTLEH-UHFFFAOYSA-N
MW314.57 g/mol
LogP0.66
Rot. Bonds10

About N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine

N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 171794868) has the molecular formula C12H34N4OS2 and a molecular weight of 314.57 g/mol. Its IUPAC name is N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID171794868
Molecular FormulaC12H34N4OS2
Molecular Weight314.57 g/mol
Exact Mass314.22
IUPAC NameN'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CS(C)(C)OS(C)(C)CN(C)CCN
InChIInChI=1S/C12H34N4OS2/c1-15(9-7-13)11-18(3,4)17-19(5,6)12-16(2)10-8-14/h7-14H2,1-6H3
InChIKeyNVBOCNBFKMTLEH-UHFFFAOYSA-N
XLogP0.66
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N'-[[[[3-aminopropyl(methyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954460
N'-[[[dimethyl-[[2-(methylamino)ethylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylethane-1,2-diamine
CID 170954464
N'-[2-[[[[2-(2-aminoethylamino)ethylamino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methylamino]ethyl]ethane-1,2-diamine
CID 170954471
N'-[[[dimethyl-[[2-(methylamino)ethylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N-methylethane-1,2-diamine
CID 171794529

Frequently Asked Questions

What is the IUPAC name of N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine (CID 171794868) is N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)CS(C)(C)OS(C)(C)CN(C)CCN.
What is the InChIKey of N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is NVBOCNBFKMTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H34N4OS2/c1-15(9-7-13)11-18(3,4)17-19(5,6)12-16(2)10-8-14/h7-14H2,1-6H3.
What are the key properties of N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine?
N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 314.57 g/mol, XLogP of 0.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 171794868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).