1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone

C11H22N2O2S — CID 43417406

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)16-9-11(15)13-5-3-12(4-6-13)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyKUNVUCSXQUKFHO-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone (PubChem CID 43417406) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
PubChem CID43417406
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)16-9-11(15)13-5-3-12(4-6-13)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyKUNVUCSXQUKFHO-UHFFFAOYSA-N
XLogP0.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone (CID 43417406) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone is CC(C)SCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone?
The InChIKey is KUNVUCSXQUKFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2)16-9-11(15)13-5-3-12(4-6-13)7-8-14/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone has a molecular weight of 246.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 43417406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).