2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide

C11H22N2S — CID 63160702

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide
SMILESCCC1(C)CCN(C(C)C(N)=S)CC1
InChIInChI=1S/C11H22N2S/c1-4-11(3)5-7-13(8-6-11)9(2)10(12)14/h9H,4-8H2,1-3H3,(H2,12,14)
InChIKeyYABDTZOKSJNQJJ-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.17
Rot. Bonds3

About 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide

2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide (PubChem CID 63160702) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide
PubChem CID63160702
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide
SMILESCCC1(C)CCN(C(C)C(N)=S)CC1
InChIInChI=1S/C11H22N2S/c1-4-11(3)5-7-13(8-6-11)9(2)10(12)14/h9H,4-8H2,1-3H3,(H2,12,14)
InChIKeyYABDTZOKSJNQJJ-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-4-methylpiperidin-1-yl)propanethioamide?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide (CID 63160702) is 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide is CCC1(C)CCN(C(C)C(N)=S)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide?
The InChIKey is YABDTZOKSJNQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-11(3)5-7-13(8-6-11)9(2)10(12)14/h9H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide?
2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide is sourced from PubChem (CID 63160702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).