3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide

C10H20N2OS — CID 102958133

IUPAC3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide
SMILESCOC1CCCN(CC(C)C(N)=S)C1
InChIInChI=1S/C10H20N2OS/c1-8(10(11)14)6-12-5-3-4-9(7-12)13-2/h8-9H,3-7H2,1-2H3,(H2,11,14)
InChIKeyUGNZZBJWUPORNZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.02
Rot. Bonds4

About 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide

3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide (PubChem CID 102958133) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide
PubChem CID102958133
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide
SMILESCOC1CCCN(CC(C)C(N)=S)C1
InChIInChI=1S/C10H20N2OS/c1-8(10(11)14)6-12-5-3-4-9(7-12)13-2/h8-9H,3-7H2,1-2H3,(H2,11,14)
InChIKeyUGNZZBJWUPORNZ-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
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-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide (CID 102958133) is 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide is COC1CCCN(CC(C)C(N)=S)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide?
The InChIKey is UGNZZBJWUPORNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(10(11)14)6-12-5-3-4-9(7-12)13-2/h8-9H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide?
3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide has a molecular weight of 216.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 102958133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).