3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride

C11H18ClN3O2S — CID 71639477

IUPAC3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)Cc2ccccn2)CCN1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-10-8-14(7-6-12-10)17(15,16)9-11-4-2-3-5-13-11;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyTYBIPQCQWMTQHH-UHFFFAOYSA-N
MW291.80 g/mol
LogP0.63
Rot. Bonds3

About 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride

3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride (PubChem CID 71639477) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
PubChem CID71639477
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)Cc2ccccn2)CCN1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-10-8-14(7-6-12-10)17(15,16)9-11-4-2-3-5-13-11;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyTYBIPQCQWMTQHH-UHFFFAOYSA-N
XLogP0.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
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3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
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2-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 104976491
(3R)-3-methyl-1-[(3-methylphenyl)methylsulfonyl]piperazine
CID 124619149
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride (CID 71639477) is 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride is CC1CN(S(=O)(=O)Cc2ccccn2)CCN1.Cl.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride?
The InChIKey is TYBIPQCQWMTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c1-10-8-14(7-6-12-10)17(15,16)9-11-4-2-3-5-13-11;/h2-5,10,12H,6-9H2,1H3;1H.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride?
3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 71639477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).