1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone

C11H22N4O3S — CID 43168616

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CCNCC2)CC1
InChIInChI=1S/C11H22N4O3S/c1-19(17,18)15-8-6-14(7-9-15)11(16)10-13-4-2-12-3-5-13/h12H,2-10H2,1H3
InChIKeyLQYZARBNPCALLR-UHFFFAOYSA-N
MW290.39 g/mol
LogP-2.00
Rot. Bonds3

About 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone

1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone (PubChem CID 43168616) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
PubChem CID43168616
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CCNCC2)CC1
InChIInChI=1S/C11H22N4O3S/c1-19(17,18)15-8-6-14(7-9-15)11(16)10-13-4-2-12-3-5-13/h12H,2-10H2,1H3
InChIKeyLQYZARBNPCALLR-UHFFFAOYSA-N
XLogP-2.00
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
CID 130266325
1-methylsulfonylpiperazine
CID 709161
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684444
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62546511
2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 79874632

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone (CID 43168616) is 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone is CS(=O)(=O)N1CCN(C(=O)CN2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is LQYZARBNPCALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-19(17,18)15-8-6-14(7-9-15)11(16)10-13-4-2-12-3-5-13/h12H,2-10H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone?
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 290.39 g/mol, XLogP of -2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 43168616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).