2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone

C13H18N2O2S — CID 119470861

IUPAC2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)CSc1ccc(O)cc1
InChIInChI=1S/C13H18N2O2S/c1-10-8-14-6-7-15(10)13(17)9-18-12-4-2-11(16)3-5-12/h2-5,10,14,16H,6-9H2,1H3
InChIKeyDQSGPBPGZRMDMC-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.30
Rot. Bonds3

About 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone

2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119470861) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119470861
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)CSc1ccc(O)cc1
InChIInChI=1S/C13H18N2O2S/c1-10-8-14-6-7-15(10)13(17)9-18-12-4-2-11(16)3-5-12/h2-5,10,14,16H,6-9H2,1H3
InChIKeyDQSGPBPGZRMDMC-UHFFFAOYSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
2-(4-hydroxyphenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734879
3-(4-bromophenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473732
1-(2-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 119470392
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)sulfanylethanone;hydrochloride
CID 120737545
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470906
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470905
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472207
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone (CID 119470861) is 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone is CC1CNCCN1C(=O)CSc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is DQSGPBPGZRMDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10-8-14-6-7-15(10)13(17)9-18-12-4-2-11(16)3-5-12/h2-5,10,14,16H,6-9H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone?
2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 266.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119470861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).