2-(4,4-diethylpiperidin-1-yl)ethanethioamide

C11H22N2S — CID 63160841

IUPAC2-(4,4-diethylpiperidin-1-yl)ethanethioamide
SMILESCCC1(CC)CCN(CC(N)=S)CC1
InChIInChI=1S/C11H22N2S/c1-3-11(4-2)5-7-13(8-6-11)9-10(12)14/h3-9H2,1-2H3,(H2,12,14)
InChIKeyCQKHTIPVJJOKKR-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.17
Rot. Bonds4

About 2-(4,4-diethylpiperidin-1-yl)ethanethioamide

2-(4,4-diethylpiperidin-1-yl)ethanethioamide (PubChem CID 63160841) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)ethanethioamide
PubChem CID63160841
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-(4,4-diethylpiperidin-1-yl)ethanethioamide
SMILESCCC1(CC)CCN(CC(N)=S)CC1
InChIInChI=1S/C11H22N2S/c1-3-11(4-2)5-7-13(8-6-11)9-10(12)14/h3-9H2,1-2H3,(H2,12,14)
InChIKeyCQKHTIPVJJOKKR-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4,4-diethylpiperidin-1-yl)ethanethioamide?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)ethanethioamide (CID 63160841) is 2-(4,4-diethylpiperidin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)ethanethioamide?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)ethanethioamide is CCC1(CC)CCN(CC(N)=S)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)ethanethioamide?
The InChIKey is CQKHTIPVJJOKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-11(4-2)5-7-13(8-6-11)9-10(12)14/h3-9H2,1-2H3,(H2,12,14).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)ethanethioamide?
2-(4,4-diethylpiperidin-1-yl)ethanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)ethanethioamide is sourced from PubChem (CID 63160841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).