2-methyl-N-piperidin-3-ylthiolane-2-carboxamide

C11H20N2OS — CID 81452924

IUPAC2-methyl-N-piperidin-3-ylthiolane-2-carboxamide
SMILESCC1(C(=O)NC2CCCNC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-11(5-3-7-15-11)10(14)13-9-4-2-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyTZZLCCDBKOCPEF-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.14
Rot. Bonds2

About 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide

2-methyl-N-piperidin-3-ylthiolane-2-carboxamide (PubChem CID 81452924) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-3-ylthiolane-2-carboxamide
PubChem CID81452924
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-methyl-N-piperidin-3-ylthiolane-2-carboxamide
SMILESCC1(C(=O)NC2CCCNC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-11(5-3-7-15-11)10(14)13-9-4-2-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyTZZLCCDBKOCPEF-UHFFFAOYSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide (CID 81452924) is 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide is CC1(C(=O)NC2CCCNC2)CCCS1.
What is the InChIKey of 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide?
The InChIKey is TZZLCCDBKOCPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(5-3-7-15-11)10(14)13-9-4-2-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide?
2-methyl-N-piperidin-3-ylthiolane-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-3-ylthiolane-2-carboxamide is sourced from PubChem (CID 81452924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).