ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone

C9H20N2O3S — CID 144882488

IUPACethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC.CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S.C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyRLXAFFSWXUKRFC-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.14
Rot. Bonds1

About ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone

ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 144882488) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID144882488
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Nameethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC.CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S.C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyRLXAFFSWXUKRFC-UHFFFAOYSA-N
XLogP0.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 144882488) is ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone is CC.CC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is RLXAFFSWXUKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 236.34 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 144882488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).