N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine

C8H22N2S2 — CID 123554832

IUPACN-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCSS(C)(C)NCCCN(C)C
InChIInChI=1S/C8H22N2S2/c1-10(2)8-6-7-9-12(4,5)11-3/h9H,6-8H2,1-5H3
InChIKeyZGNRIHLSUNEDEQ-UHFFFAOYSA-N
MW210.41 g/mol
LogP1.78
Rot. Bonds6

About N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine

N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 123554832) has the molecular formula C8H22N2S2 and a molecular weight of 210.41 g/mol. Its IUPAC name is N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID123554832
Molecular FormulaC8H22N2S2
Molecular Weight210.41 g/mol
Exact Mass210.12
IUPAC NameN-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCSS(C)(C)NCCCN(C)C
InChIInChI=1S/C8H22N2S2/c1-10(2)8-6-7-9-12(4,5)11-3/h9H,6-8H2,1-5H3
InChIKeyZGNRIHLSUNEDEQ-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N,N'-bis(methylsulfanyl)butane-1,4-diamine
CID 88270665
N',N'-dimethyl-N-propan-2-ylsulfanylpropane-1,3-diamine
CID 88915698
N',N'-dimethyl-N-methylsulfanylpropane-1,3-diamine
CID 88958902
N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine
CID 88959028
3-[3-(Dimethylamino)propyldisulfanyl]propan-1-amine
CID 90163474
N',N'-diethyl-N-methylsulfanylpropane-1,3-diamine
CID 123272375
N',N'-dimethyl-N-(methylsulfanylmethyl)propane-1,3-diamine
CID 123779361
N-[3-(dimethylamino)propyl]methanesulfinamide;ethane
CID 145388779
N',N'-dimethyl-N-[2-[methyl-(trimethyl-lambda4-sulfanyl)amino]ethyl]propane-1,3-diamine
CID 169860068
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 171794531

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine (CID 123554832) is N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine is CSS(C)(C)NCCCN(C)C.
What is the InChIKey of N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ZGNRIHLSUNEDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2S2/c1-10(2)8-6-7-9-12(4,5)11-3/h9H,6-8H2,1-5H3.
What are the key properties of N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine?
N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 210.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(methylsulfanyl)-λ4-sulfanyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 123554832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).