2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone

C15H22N2O2S — CID 64664246

IUPAC2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(O)c1cccc(SCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-12(18)13-4-3-5-14(10-13)20-11-15(19)17-8-6-16(2)7-9-17/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeyHDYPTEZPXLGLQL-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 64664246) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID64664246
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(O)c1cccc(SCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-12(18)13-4-3-5-14(10-13)20-11-15(19)17-8-6-16(2)7-9-17/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeyHDYPTEZPXLGLQL-UHFFFAOYSA-N
XLogP1.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
2-(3-hydroxyphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 104590537
2-(3-aminophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 79133789
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
1-piperidin-1-yl-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylethanone
CID 66348467
2-(3-acetylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 64663107
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
2-(3-aminophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 18894944
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone (CID 64664246) is 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is CC(O)c1cccc(SCC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HDYPTEZPXLGLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12(18)13-4-3-5-14(10-13)20-11-15(19)17-8-6-16(2)7-9-17/h3-5,10,12,18H,6-9,11H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 294.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 64664246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).