2,6-dimethyl-1-(thian-4-yl)piperazine

C11H22N2S — CID 130639744

IUPAC2,6-dimethyl-1-(thian-4-yl)piperazine
SMILESCC1CNCC(C)N1C1CCSCC1
InChIInChI=1S/C11H22N2S/c1-9-7-12-8-10(2)13(9)11-3-5-14-6-4-11/h9-12H,3-8H2,1-2H3
InChIKeyZHAIRLMKTYRVCL-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.56
Rot. Bonds1

About 2,6-dimethyl-1-(thian-4-yl)piperazine

2,6-dimethyl-1-(thian-4-yl)piperazine (PubChem CID 130639744) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,6-dimethyl-1-(thian-4-yl)piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-(thian-4-yl)piperazine
PubChem CID130639744
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2,6-dimethyl-1-(thian-4-yl)piperazine
SMILESCC1CNCC(C)N1C1CCSCC1
InChIInChI=1S/C11H22N2S/c1-9-7-12-8-10(2)13(9)11-3-5-14-6-4-11/h9-12H,3-8H2,1-2H3
InChIKeyZHAIRLMKTYRVCL-UHFFFAOYSA-N
XLogP1.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylcyclohexyl)-2,6-dimethylpiperazine
CID 64730271
(2R)-2-methyl-1-(thiolan-3-yl)piperazine
CID 130780057
4-(2,6-dimethylpiperazin-1-yl)azepan-2-one
CID 63910430
4-thia-1-azabicyclo[5.2.0]nonane
CID 118209966
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331
3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride
CID 131067525
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
(1R,2S,6R,7S)-10-(1,4-dithiepan-6-yl)-4,10-diazatricyclo[5.2.1.02,6]decane
CID 121495626
ethane;4-thiomorpholin-4-ylpiperidin-3-amine
CID 144642150
[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
CID 82756247
3-methyl-1-(thian-4-yl)piperazin-2-one
CID 115101891
2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
CID 165469299

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(thian-4-yl)piperazine?
The IUPAC name of 2,6-dimethyl-1-(thian-4-yl)piperazine (CID 130639744) is 2,6-dimethyl-1-(thian-4-yl)piperazine.
What is the SMILES notation for 2,6-dimethyl-1-(thian-4-yl)piperazine?
The canonical SMILES for 2,6-dimethyl-1-(thian-4-yl)piperazine is CC1CNCC(C)N1C1CCSCC1.
What is the InChIKey of 2,6-dimethyl-1-(thian-4-yl)piperazine?
The InChIKey is ZHAIRLMKTYRVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-7-12-8-10(2)13(9)11-3-5-14-6-4-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(thian-4-yl)piperazine?
2,6-dimethyl-1-(thian-4-yl)piperazine has a molecular weight of 214.38 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(thian-4-yl)piperazine is sourced from PubChem (CID 130639744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).