2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

C9H19ClN2O3S — CID 119472127

IUPAC2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCS(=O)(=O)CC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-3-15(13,14)7-9(12)11-5-4-10-6-8(11)2;/h8,10H,3-7H2,1-2H3;1H
InChIKeyMJYKTCMQNSBWMS-UHFFFAOYSA-N
MW270.78 g/mol
LogP-0.34
Rot. Bonds3

About 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119472127) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119472127
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Name2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCS(=O)(=O)CC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-3-15(13,14)7-9(12)11-5-4-10-6-8(11)2;/h8,10H,3-7H2,1-2H3;1H
InChIKeyMJYKTCMQNSBWMS-UHFFFAOYSA-N
XLogP-0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
CID 119473658
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119472033
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224
1-(2-methylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 119469976
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119472127) is 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is CCS(=O)(=O)CC(=O)N1CCNCC1C.Cl.
What is the InChIKey of 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is MJYKTCMQNSBWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-3-15(13,14)7-9(12)11-5-4-10-6-8(11)2;/h8,10H,3-7H2,1-2H3;1H.
What are the key properties of 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119472127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).