2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide

C12H22N2OS — CID 107295958

IUPAC2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC2CCSC2)CCN1
InChIInChI=1S/C12H22N2OS/c1-9-6-11(2-4-13-9)12(15)14-7-10-3-5-16-8-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyKYKNMKARHOOFPQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide

2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 107295958) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
PubChem CID107295958
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC2CCSC2)CCN1
InChIInChI=1S/C12H22N2OS/c1-9-6-11(2-4-13-9)12(15)14-7-10-3-5-16-8-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyKYKNMKARHOOFPQ-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 107296120
2-methyl-N-(thiolan-2-ylmethyl)piperidine-4-carboxamide
CID 106740363
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120634721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide (CID 107295958) is 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide is CC1CC(C(=O)NCC2CCSC2)CCN1.
What is the InChIKey of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KYKNMKARHOOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-6-11(2-4-13-9)12(15)14-7-10-3-5-16-8-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide?
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 107295958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).