1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride

C11H18ClN3O2S — CID 71637437

IUPAC1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride
SMILESCC(c1ccccn1)S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-10(11-4-2-3-5-13-11)17(15,16)14-8-6-12-7-9-14;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyIQGWDPJCWMAXKC-UHFFFAOYSA-N
MW291.80 g/mol
LogP0.80
Rot. Bonds3

About 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride

1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride (PubChem CID 71637437) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride
PubChem CID71637437
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride
SMILESCC(c1ccccn1)S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-10(11-4-2-3-5-13-11)17(15,16)14-8-6-12-7-9-14;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyIQGWDPJCWMAXKC-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride (CID 71637437) is 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride is CC(c1ccccn1)S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride?
The InChIKey is IQGWDPJCWMAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c1-10(11-4-2-3-5-13-11)17(15,16)14-8-6-12-7-9-14;/h2-5,10,12H,6-9H2,1H3;1H.
What are the key properties of 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride?
1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 71637437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).