1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone

C11H22N2O3S — CID 120572516

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)N1CCNC(C)C1C
InChIInChI=1S/C11H22N2O3S/c1-4-7-17(15,16)8-11(14)13-6-5-12-9(2)10(13)3/h9-10,12H,4-8H2,1-3H3
InChIKeyOUSAKNXKIMNVRX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds4

About 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone

1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone (PubChem CID 120572516) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
PubChem CID120572516
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)N1CCNC(C)C1C
InChIInChI=1S/C11H22N2O3S/c1-4-7-17(15,16)8-11(14)13-6-5-12-9(2)10(13)3/h9-10,12H,4-8H2,1-3H3
InChIKeyOUSAKNXKIMNVRX-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methylsulfonyl]-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572042
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
(1-butylsulfonylpiperidin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572115
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
1-(2-propylsulfonylacetyl)pyrrolidine-2-carboxylic acid
CID 119355643
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-propylsulfonylethanone
CID 124682641

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone (CID 120572516) is 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)N1CCNC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone?
The InChIKey is OUSAKNXKIMNVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-7-17(15,16)8-11(14)13-6-5-12-9(2)10(13)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone?
1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone has a molecular weight of 262.37 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone is sourced from PubChem (CID 120572516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).