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

C8H22N2OS2 — CID 170954467

IUPACN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCS(C)(C)OSC
InChIInChI=1S/C8H22N2OS2/c1-9-6-5-7-10-8-13(3,4)11-12-2/h9-10H,5-8H2,1-4H3
InChIKeyRCSOTJZQMPRVEG-UHFFFAOYSA-N
MW226.41 g/mol
LogP1.42
Rot. Bonds8

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 170954467) 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 CID170954467
Molecular FormulaC8H22N2OS2
Molecular Weight226.41 g/mol
Exact Mass226.12
IUPAC NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCS(C)(C)OSC
InChIInChI=1S/C8H22N2OS2/c1-9-6-5-7-10-8-13(3,4)11-12-2/h9-10H,5-8H2,1-4H3
InChIKeyRCSOTJZQMPRVEG-UHFFFAOYSA-N
XLogP1.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N'-(methylsulfanylmethyl)butane-1,4-diamine
CID 59934663
N'-(methylsulfanylmethyl)propane-1,3-diamine
CID 123451473
N',N'-dimethyl-N-(methylsulfanylmethyl)propane-1,3-diamine
CID 123779361
3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine
CID 131126138
N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine
CID 142025853
3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane
CID 145388867
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'-[[[[(3-amino-2-methylpropyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-2-methylpropane-1,3-diamine
CID 170954465
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

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 170954467) 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 CNCCCNCS(C)(C)OSC.
What is the InChIKey of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine?
The InChIKey is RCSOTJZQMPRVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2OS2/c1-9-6-5-7-10-8-13(3,4)11-12-2/h9-10H,5-8H2,1-4H3.
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 1.42, 8 rotatable bonds, 2 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 170954467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).