3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide

C12H24N2O2S — CID 82695672

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide
SMILESCCC(CC(N)=S)N1CCC(OCCO)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-10(9-12(13)17)14-5-3-11(4-6-14)16-8-7-15/h10-11,15H,2-9H2,1H3,(H2,13,17)
InChIKeyFNFNYFAWHLBYGB-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.91
Rot. Bonds7

About 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide

3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide (PubChem CID 82695672) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide
PubChem CID82695672
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide
SMILESCCC(CC(N)=S)N1CCC(OCCO)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-10(9-12(13)17)14-5-3-11(4-6-14)16-8-7-15/h10-11,15H,2-9H2,1H3,(H2,13,17)
InChIKeyFNFNYFAWHLBYGB-UHFFFAOYSA-N
XLogP0.91
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.91
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 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide (CID 82695672) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide is CCC(CC(N)=S)N1CCC(OCCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
The InChIKey is FNFNYFAWHLBYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-10(9-12(13)17)14-5-3-11(4-6-14)16-8-7-15/h10-11,15H,2-9H2,1H3,(H2,13,17).
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide has a molecular weight of 260.40 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide is sourced from PubChem (CID 82695672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).