1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine

C12H18ClN3O2S — CID 56820411

IUPAC1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-19(17,18)9-8-15-4-6-16(7-5-15)12-3-2-11(13)10-14-12/h2-3,10H,4-9H2,1H3
InChIKeyPJOYFDNJLULWFZ-UHFFFAOYSA-N
MW303.81 g/mol
LogP0.90
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine

1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine (PubChem CID 56820411) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine
PubChem CID56820411
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-19(17,18)9-8-15-4-6-16(7-5-15)12-3-2-11(13)10-14-12/h2-3,10H,4-9H2,1H3
InChIKeyPJOYFDNJLULWFZ-UHFFFAOYSA-N
XLogP0.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine (CID 56820411) is 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is PJOYFDNJLULWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-19(17,18)9-8-15-4-6-16(7-5-15)12-3-2-11(13)10-14-12/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine?
1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 303.81 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 56820411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).