2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C22H26N2O3S — CID 86078743

IUPAC2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CS(=O)Cc1cccc2c1Cc1ccccc1-2)N1CCN(CCO)CC1
InChIInChI=1S/C22H26N2O3S/c25-13-12-23-8-10-24(11-9-23)22(26)16-28(27)15-18-5-3-7-20-19-6-2-1-4-17(19)14-21(18)20/h1-7,25H,8-16H2
InChIKeyWBHKPMNVSPXTQE-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.64
Rot. Bonds6

About 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 86078743) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID86078743
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CS(=O)Cc1cccc2c1Cc1ccccc1-2)N1CCN(CCO)CC1
InChIInChI=1S/C22H26N2O3S/c25-13-12-23-8-10-24(11-9-23)22(26)16-28(27)15-18-5-3-7-20-19-6-2-1-4-17(19)14-21(18)20/h1-7,25H,8-16H2
InChIKeyWBHKPMNVSPXTQE-UHFFFAOYSA-N
XLogP1.64
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 86078743) is 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CS(=O)Cc1cccc2c1Cc1ccccc1-2)N1CCN(CCO)CC1.
What is the InChIKey of 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is WBHKPMNVSPXTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-13-12-23-8-10-24(11-9-23)22(26)16-28(27)15-18-5-3-7-20-19-6-2-1-4-17(19)14-21(18)20/h1-7,25H,8-16H2.
What are the key properties of 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 398.53 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86078743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).