2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride

C8H18Cl2N2S — CID 165469299

IUPAC2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
SMILESCC1CNCCN1C1CSC1.Cl.Cl
InChIInChI=1S/C8H16N2S.2ClH/c1-7-4-9-2-3-10(7)8-5-11-6-8;;/h7-9H,2-6H2,1H3;2*1H
InChIKeyRUQPZQJLKKWIAS-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.24
Rot. Bonds1

About 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride

2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride (PubChem CID 165469299) has the molecular formula C8H18Cl2N2S and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
PubChem CID165469299
Molecular FormulaC8H18Cl2N2S
Molecular Weight245.22 g/mol
Exact Mass244.06
IUPAC Name2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
SMILESCC1CNCCN1C1CSC1.Cl.Cl
InChIInChI=1S/C8H16N2S.2ClH/c1-7-4-9-2-3-10(7)8-5-11-6-8;;/h7-9H,2-6H2,1H3;2*1H
InChIKeyRUQPZQJLKKWIAS-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-methyl-1-(3-methylcyclopentyl)piperazine;hydrochloride
CID 131203778
(2R)-2-methyl-1-(oxan-3-yl)piperazine
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(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine
CID 174973107
ethane;5-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
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(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride?
The IUPAC name of 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride (CID 165469299) is 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride.
What is the SMILES notation for 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride?
The canonical SMILES for 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride is CC1CNCCN1C1CSC1.Cl.Cl.
What is the InChIKey of 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride?
The InChIKey is RUQPZQJLKKWIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S.2ClH/c1-7-4-9-2-3-10(7)8-5-11-6-8;;/h7-9H,2-6H2,1H3;2*1H.
What are the key properties of 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride?
2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride has a molecular weight of 245.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride is sourced from PubChem (CID 165469299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).