2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide

C11H23N3O2S — CID 63341482

IUPAC2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide
SMILESCC(C(N)=S)N1CCN(CCOCCO)CC1
InChIInChI=1S/C11H23N3O2S/c1-10(11(12)17)14-4-2-13(3-5-14)6-8-16-9-7-15/h10,15H,2-9H2,1H3,(H2,12,17)
InChIKeyHCMLSKSXQGGJPI-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.71
Rot. Bonds7

About 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide

2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide (PubChem CID 63341482) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide
PubChem CID63341482
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide
SMILESCC(C(N)=S)N1CCN(CCOCCO)CC1
InChIInChI=1S/C11H23N3O2S/c1-10(11(12)17)14-4-2-13(3-5-14)6-8-16-9-7-15/h10,15H,2-9H2,1H3,(H2,12,17)
InChIKeyHCMLSKSXQGGJPI-UHFFFAOYSA-N
XLogP-0.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]butanethioamide
CID 63341841
2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanethioamide
CID 103409822
2-[4-(4-methoxybutyl)piperazin-1-yl]propanethioamide
CID 113436878
2-(4-nonylpiperazin-1-yl)propanethioamide
CID 63341790
2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide
CID 82695493
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]pentanethioamide
CID 106452837
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
2-[4-(2-ethoxyethyl)piperazin-1-yl]pentanethioamide
CID 63341671
2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342094

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide?
The IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide (CID 63341482) is 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide?
The canonical SMILES for 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide is CC(C(N)=S)N1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide?
The InChIKey is HCMLSKSXQGGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10(11(12)17)14-4-2-13(3-5-14)6-8-16-9-7-15/h10,15H,2-9H2,1H3,(H2,12,17).
What are the key properties of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide?
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide has a molecular weight of 261.39 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide is sourced from PubChem (CID 63341482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).