5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide

C12H24N2O2S — CID 82695924

IUPAC5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide
SMILESNC(=S)CCCCN1CCC(OCCO)CC1
InChIInChI=1S/C12H24N2O2S/c13-12(17)3-1-2-6-14-7-4-11(5-8-14)16-10-9-15/h11,15H,1-10H2,(H2,13,17)
InChIKeyYJBRKBJXCUEAQU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.92
Rot. Bonds8

About 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide

5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide (PubChem CID 82695924) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide
PubChem CID82695924
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide
SMILESNC(=S)CCCCN1CCC(OCCO)CC1
InChIInChI=1S/C12H24N2O2S/c13-12(17)3-1-2-6-14-7-4-11(5-8-14)16-10-9-15/h11,15H,1-10H2,(H2,13,17)
InChIKeyYJBRKBJXCUEAQU-UHFFFAOYSA-N
XLogP0.92
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
The IUPAC name of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide (CID 82695924) is 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide.
What is the SMILES notation for 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
The canonical SMILES for 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide is NC(=S)CCCCN1CCC(OCCO)CC1.
What is the InChIKey of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
The InChIKey is YJBRKBJXCUEAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c13-12(17)3-1-2-6-14-7-4-11(5-8-14)16-10-9-15/h11,15H,1-10H2,(H2,13,17).
What are the key properties of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide?
5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide has a molecular weight of 260.40 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanethioamide is sourced from PubChem (CID 82695924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).