2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone

C10H20N2O2S — CID 115776841

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(CO)SCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O2S/c1-9(7-13)15-8-10(14)12-5-3-11(2)4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyBWZKSPAVURQYQI-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.13
Rot. Bonds4

About 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 115776841) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID115776841
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(CO)SCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O2S/c1-9(7-13)15-8-10(14)12-5-3-11(2)4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyBWZKSPAVURQYQI-UHFFFAOYSA-N
XLogP-0.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxybutan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66136593
2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 115659711
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103895763
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl thiohypoiodite
CID 177034041
2-(3-aminobutylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66232847
2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66244111
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66226245
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
ethane;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000239

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 115776841) is 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone is CC(CO)SCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is BWZKSPAVURQYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9(7-13)15-8-10(14)12-5-3-11(2)4-6-12/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 232.35 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 115776841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).