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

C9H18N2O2S — CID 82695585

IUPAC2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(OCCO)CC1
InChIInChI=1S/C9H18N2O2S/c10-9(14)7-11-3-1-8(2-4-11)13-6-5-12/h8,12H,1-7H2,(H2,10,14)
InChIKeyPBXLFZYACMRSIV-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.25
Rot. Bonds5

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

2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide (PubChem CID 82695585) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide
PubChem CID82695585
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(OCCO)CC1
InChIInChI=1S/C9H18N2O2S/c10-9(14)7-11-3-1-8(2-4-11)13-6-5-12/h8,12H,1-7H2,(H2,10,14)
InChIKeyPBXLFZYACMRSIV-UHFFFAOYSA-N
XLogP-0.25
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.25
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]ethanethioamide?
The IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide (CID 82695585) is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide is NC(=S)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide?
The InChIKey is PBXLFZYACMRSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-9(14)7-11-3-1-8(2-4-11)13-6-5-12/h8,12H,1-7H2,(H2,10,14).
What are the key properties of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide?
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanethioamide has a molecular weight of 218.32 g/mol, XLogP of -0.25, 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]ethanethioamide is sourced from PubChem (CID 82695585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).