3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide

C11H22N2OS — CID 43367751

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide
SMILESCC(CN1CCCCC1CCO)C(N)=S
InChIInChI=1S/C11H22N2OS/c1-9(11(12)15)8-13-6-3-2-4-10(13)5-7-14/h9-10,14H,2-8H2,1H3,(H2,12,15)
InChIKeyWIELDOSJOMDMTD-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.15
Rot. Bonds5

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide (PubChem CID 43367751) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide
PubChem CID43367751
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide
SMILESCC(CN1CCCCC1CCO)C(N)=S
InChIInChI=1S/C11H22N2OS/c1-9(11(12)15)8-13-6-3-2-4-10(13)5-7-14/h9-10,14H,2-8H2,1H3,(H2,12,15)
InChIKeyWIELDOSJOMDMTD-UHFFFAOYSA-N
XLogP1.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanethioamide
CID 103368500
2-[(2S,5R)-5-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]ethanol
CID 167260025
2-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanethioamide
CID 24692018
3-[2-(2-Hydroxyethyl)piperidin-1-yl]propanethioamide
CID 24700663
4-[2-(2-Hydroxyethyl)piperidin-1-yl]butanethioamide
CID 24703235
2-[1-(1-Aminopentan-3-yl)piperidin-2-yl]ethanol
CID 43174927
2-[1-(3-Amino-2-methylpropyl)piperidin-2-yl]ethanol
CID 43367595
3-[2-(2-Hydroxyethyl)piperidin-1-yl]pentanethioamide
CID 43367747
3-[4-(Hydroxymethyl)piperidin-1-yl]pentanethioamide
CID 43367861
3-[3-(Hydroxymethyl)piperidin-1-yl]pentanethioamide
CID 43590318
2-[1-[3-(Ethylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051424
3-[4-(Hydroxymethyl)piperidin-1-yl]butanethioamide
CID 60912990

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide (CID 43367751) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide is CC(CN1CCCCC1CCO)C(N)=S.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide?
The InChIKey is WIELDOSJOMDMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(11(12)15)8-13-6-3-2-4-10(13)5-7-14/h9-10,14H,2-8H2,1H3,(H2,12,15).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide has a molecular weight of 230.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanethioamide is sourced from PubChem (CID 43367751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).