1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine

C10H14ClN3O2S — CID 3477914

IUPAC1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-17(15,16)14-7-5-13(6-8-14)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
InChIKeyOMAJYNXJIBUEGR-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.82
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine

1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine (PubChem CID 3477914) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine
PubChem CID3477914
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-17(15,16)14-7-5-13(6-8-14)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
InChIKeyOMAJYNXJIBUEGR-UHFFFAOYSA-N
XLogP0.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene
CID 785520
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
2-Chloro-6-(4-methylpiperazino)pyridine
CID 10727230
1-(3-Chloropyridin-2-yl)-4-methylpiperazine
CID 11959098
Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride
CID 3024498
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
4-(Ethylsulfonyl)-1-(2-pyridyl)piperazine
CID 4536240
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methylsulfonylpiperazine
CID 2741617
1-(5-Chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine
CID 56820411
1-(5-Chloro-2-pyridinyl)-4-[3-(methylthio)propyl]piperazine
CID 56916820
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)methanesulfonamide
CID 73439635

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine (CID 3477914) is 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine?
The InChIKey is OMAJYNXJIBUEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-17(15,16)14-7-5-13(6-8-14)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3.
What are the key properties of 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine?
1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine has a molecular weight of 275.76 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 3477914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).