2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide

C10H20N2O2S — CID 82695493

IUPAC2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide
SMILESCC(C(N)=S)N1CCC(OCCO)CC1
InChIInChI=1S/C10H20N2O2S/c1-8(10(11)15)12-4-2-9(3-5-12)14-7-6-13/h8-9,13H,2-7H2,1H3,(H2,11,15)
InChIKeyWJUZMDANCOKMNV-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.13
Rot. Bonds5

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

2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide (PubChem CID 82695493) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide
PubChem CID82695493
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide
SMILESCC(C(N)=S)N1CCC(OCCO)CC1
InChIInChI=1S/C10H20N2O2S/c1-8(10(11)15)12-4-2-9(3-5-12)14-7-6-13/h8-9,13H,2-7H2,1H3,(H2,11,15)
InChIKeyWJUZMDANCOKMNV-UHFFFAOYSA-N
XLogP0.13
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide?
The IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide (CID 82695493) is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide is CC(C(N)=S)N1CCC(OCCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide?
The InChIKey is WJUZMDANCOKMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(10(11)15)12-4-2-9(3-5-12)14-7-6-13/h8-9,13H,2-7H2,1H3,(H2,11,15).
What are the key properties of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide?
2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide has a molecular weight of 232.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]propanethioamide is sourced from PubChem (CID 82695493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).