dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride

C9H22ClN2S2+ — CID 172726907

IUPACdimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride
SMILESC[S+](C)SCCCN1CCNCC1.Cl
InChIInChI=1S/C9H21N2S2.ClH/c1-13(2)12-9-3-6-11-7-4-10-5-8-11;/h10H,3-9H2,1-2H3;1H/q+1;
InChIKeyHGPPRNRUNRGONC-UHFFFAOYSA-N
MW257.88 g/mol
LogP1.23
Rot. Bonds5

About dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride

dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride (PubChem CID 172726907) has the molecular formula C9H22ClN2S2+ and a molecular weight of 257.88 g/mol. Its IUPAC name is dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride.

Molecular Properties

Compound Namedimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride
PubChem CID172726907
Molecular FormulaC9H22ClN2S2+
Molecular Weight257.88 g/mol
Exact Mass257.09
IUPAC Namedimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride
SMILESC[S+](C)SCCCN1CCNCC1.Cl
InChIInChI=1S/C9H21N2S2.ClH/c1-13(2)12-9-3-6-11-7-4-10-5-8-11;/h10H,3-9H2,1-2H3;1H/q+1;
InChIKeyHGPPRNRUNRGONC-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.88
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylsulfanylpropyl)piperazine
CID 61057069
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
CID 10695223
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
1-tricosylpiperazine
CID 130183651
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
CID 131714940
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
ethane;1-octylpiperazine
CID 144711845
1-(2-tert-butylsulfanylethyl)piperazine
CID 58842925
diazanium;1-docosylpiperazine;dibromide
CID 157305429
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275

Frequently Asked Questions

What is the IUPAC name of dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride?
The IUPAC name of dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride (CID 172726907) is dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride.
What is the SMILES notation for dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride?
The canonical SMILES for dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride is C[S+](C)SCCCN1CCNCC1.Cl.
What is the InChIKey of dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride?
The InChIKey is HGPPRNRUNRGONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2S2.ClH/c1-13(2)12-9-3-6-11-7-4-10-5-8-11;/h10H,3-9H2,1-2H3;1H/q+1;.
What are the key properties of dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride?
dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride has a molecular weight of 257.88 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride is sourced from PubChem (CID 172726907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).