1,4-diethylpiperazine;sulfane

C8H20N2S — CID 177062456

IUPAC1,4-diethylpiperazine;sulfane
SMILESCCN1CCN(CC)CC1.S
InChIInChI=1S/C8H18N2.H2S/c1-3-9-5-7-10(4-2)8-6-9;/h3-8H2,1-2H3;1H2
InChIKeyMDFHELWNYKHNKR-UHFFFAOYSA-N
MW176.33 g/mol
LogP0.76
Rot. Bonds2

About 1,4-diethylpiperazine;sulfane

1,4-diethylpiperazine;sulfane (PubChem CID 177062456) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 1,4-diethylpiperazine;sulfane.

Molecular Properties

Compound Name1,4-diethylpiperazine;sulfane
PubChem CID177062456
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name1,4-diethylpiperazine;sulfane
SMILESCCN1CCN(CC)CC1.S
InChIInChI=1S/C8H18N2.H2S/c1-3-9-5-7-10(4-2)8-6-9;/h3-8H2,1-2H3;1H2
InChIKeyMDFHELWNYKHNKR-UHFFFAOYSA-N
XLogP0.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
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4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1,6-diethyl-1,6-diazecane
CID 172611513
4-ethylpiperazin-1-amine
CID 3015725
CID 163235298
CID 163235298
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
(4-ethylpiperazin-1-yl)methanol;methane
CID 161108744
butane;1-ethyl-4-methylpiperazine
CID 143179774
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperazine;sulfane?
The IUPAC name of 1,4-diethylpiperazine;sulfane (CID 177062456) is 1,4-diethylpiperazine;sulfane.
What is the SMILES notation for 1,4-diethylpiperazine;sulfane?
The canonical SMILES for 1,4-diethylpiperazine;sulfane is CCN1CCN(CC)CC1.S.
What is the InChIKey of 1,4-diethylpiperazine;sulfane?
The InChIKey is MDFHELWNYKHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.H2S/c1-3-9-5-7-10(4-2)8-6-9;/h3-8H2,1-2H3;1H2.
What are the key properties of 1,4-diethylpiperazine;sulfane?
1,4-diethylpiperazine;sulfane has a molecular weight of 176.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperazine;sulfane is sourced from PubChem (CID 177062456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).