ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine

C13H23N3O2S — CID 143863753

IUPACethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
SMILESCC.Cc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C11H17N3O2S.C2H6/c1-10-3-4-11(12-9-10)13-5-7-14(8-6-13)17(2,15)16;1-2/h3-4,9H,5-8H2,1-2H3;1-2H3
InChIKeyWUJXWOJFMILEPY-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.50
Rot. Bonds2

About ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine

ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine (PubChem CID 143863753) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Nameethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
PubChem CID143863753
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nameethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
SMILESCC.Cc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C11H17N3O2S.C2H6/c1-10-3-4-11(12-9-10)13-5-7-14(8-6-13)17(2,15)16;1-2/h3-4,9H,5-8H2,1-2H3;1-2H3
InChIKeyWUJXWOJFMILEPY-UHFFFAOYSA-N
XLogP1.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
CID 59766715
CID 59766715
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 55025868
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
CID 82840203
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine?
The IUPAC name of ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine (CID 143863753) is ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine?
The canonical SMILES for ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine is CC.Cc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1.
What is the InChIKey of ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine?
The InChIKey is WUJXWOJFMILEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.C2H6/c1-10-3-4-11(12-9-10)13-5-7-14(8-6-13)17(2,15)16;1-2/h3-4,9H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine?
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine has a molecular weight of 285.41 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 143863753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).