1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one

C10H20N2O4S — CID 43428058

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O4S/c1-17(15,16)9-2-10(14)12-5-3-11(4-6-12)7-8-13/h13H,2-9H2,1H3
InChIKeyNGIALSQMMHGAGL-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.44
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one (PubChem CID 43428058) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one
PubChem CID43428058
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O4S/c1-17(15,16)9-2-10(14)12-5-3-11(4-6-12)7-8-13/h13H,2-9H2,1H3
InChIKeyNGIALSQMMHGAGL-UHFFFAOYSA-N
XLogP-1.44
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-Hydroxypropyl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 53627381
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 71941849
2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-Hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
CID 75443852
3-Methanesulfonyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride
CID 145874339
3-Methanesulfonyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 57763211
2-Ethylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 53622824
2-Cyclopentylsulfonyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 72154443
3-(2-Hydroxyethylsulfonyl)-1-morpholin-4-ylpropan-1-one
CID 25206674
1-(4-Ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 46199856
2-[4-(3-Methylsulfonylpropyl)piperazin-1-yl]ethanol
CID 60240487
1-(4-Ethylpiperazin-1-yl)-3-methylsulfonylpropan-1-one
CID 84282615

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one (CID 43428058) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one is CS(=O)(=O)CCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one?
The InChIKey is NGIALSQMMHGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-17(15,16)9-2-10(14)12-5-3-11(4-6-12)7-8-13/h13H,2-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one has a molecular weight of 264.35 g/mol, XLogP of -1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 43428058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).