3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide

C9H18N2OS — CID 43174977

IUPAC3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide
SMILESCC(CN1CCC(O)CC1)C(N)=S
InChIInChI=1S/C9H18N2OS/c1-7(9(10)13)6-11-4-2-8(12)3-5-11/h7-8,12H,2-6H2,1H3,(H2,10,13)
InChIKeySOYDYFHOBMVYJT-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.37
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide

3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide (PubChem CID 43174977) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide
PubChem CID43174977
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide
SMILESCC(CN1CCC(O)CC1)C(N)=S
InChIInChI=1S/C9H18N2OS/c1-7(9(10)13)6-11-4-2-8(12)3-5-11/h7-8,12H,2-6H2,1H3,(H2,10,13)
InChIKeySOYDYFHOBMVYJT-UHFFFAOYSA-N
XLogP0.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxypiperidin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide (CID 43174977) is 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide is CC(CN1CCC(O)CC1)C(N)=S.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide?
The InChIKey is SOYDYFHOBMVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(9(10)13)6-11-4-2-8(12)3-5-11/h7-8,12H,2-6H2,1H3,(H2,10,13).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide?
3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide has a molecular weight of 202.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 43174977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).