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

C15H40N4OS2 — CID 171794530

IUPACN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCCN.CSOS(C)(C)CN(C)CCCN
InChIInChI=1S/C8H22N2OS2.C7H18N2/c1-10(7-5-6-9)8-13(3,4)11-12-2;1-3-6-9(2)7-4-5-8/h5-9H2,1-4H3;3-8H2,1-2H3
InChIKeyCZCMVMTUKCCCDQ-UHFFFAOYSA-N
MW356.65 g/mol
LogP2.18
Rot. Bonds12

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

N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine (PubChem CID 171794530) has the molecular formula C15H40N4OS2 and a molecular weight of 356.65 g/mol. Its IUPAC name is N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine
PubChem CID171794530
Molecular FormulaC15H40N4OS2
Molecular Weight356.65 g/mol
Exact Mass356.26
IUPAC NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCCN.CSOS(C)(C)CN(C)CCCN
InChIInChI=1S/C8H22N2OS2.C7H18N2/c1-10(7-5-6-9)8-13(3,4)11-12-2;1-3-6-9(2)7-4-5-8/h5-9H2,1-4H3;3-8H2,1-2H3
InChIKeyCZCMVMTUKCCCDQ-UHFFFAOYSA-N
XLogP2.18
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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'-[[[[(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
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
CID 170954467
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 171794531

Frequently Asked Questions

What is the IUPAC name of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine (CID 171794530) is N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine is CCCN(C)CCCN.CSOS(C)(C)CN(C)CCCN.
What is the InChIKey of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is CZCMVMTUKCCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2OS2.C7H18N2/c1-10(7-5-6-9)8-13(3,4)11-12-2;1-3-6-9(2)7-4-5-8/h5-9H2,1-4H3;3-8H2,1-2H3.
What are the key properties of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine?
N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 356.65 g/mol, XLogP of 2.18, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 171794530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).