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

C12H22N2OS — CID 107295961

IUPAC2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
SMILESCC1(C(=O)NCC2CCSC2)CCCCN1
InChIInChI=1S/C12H22N2OS/c1-12(5-2-3-6-14-12)11(15)13-8-10-4-7-16-9-10/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyMYKRMDHPOUYCMP-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds3

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

2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 107295961) 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-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
PubChem CID107295961
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
SMILESCC1(C(=O)NCC2CCSC2)CCCCN1
InChIInChI=1S/C12H22N2OS/c1-12(5-2-3-6-14-12)11(15)13-8-10-4-7-16-9-10/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyMYKRMDHPOUYCMP-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 104596521
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
2-methyl-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 113368609
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526034
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228
2-methyl-2-(thiolan-3-ylmethyl)pyrrolidine
CID 117270942
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide (CID 107295961) is 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide is CC1(C(=O)NCC2CCSC2)CCCCN1.
What is the InChIKey of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is MYKRMDHPOUYCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(5-2-3-6-14-12)11(15)13-8-10-4-7-16-9-10/h10,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide?
2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 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-2-carboxamide is sourced from PubChem (CID 107295961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).