N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide

C13H22N2O3S — CID 83199774

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1C=CS(=O)(=O)C1)C1CCCNC1
InChIInChI=1S/C13H22N2O3S/c1-13(2,10-4-3-6-14-8-10)12(16)15-11-5-7-19(17,18)9-11/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyMGAJNCATAHZBHG-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.44
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83199774) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83199774
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1C=CS(=O)(=O)C1)C1CCCNC1
InChIInChI=1S/C13H22N2O3S/c1-13(2,10-4-3-6-14-8-10)12(16)15-11-5-7-19(17,18)9-11/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyMGAJNCATAHZBHG-UHFFFAOYSA-N
XLogP0.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methyl-2-piperidin-3-ylpropanamide
CID 83032368
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 107222031
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-methyl-N-(2-methylcyclopropyl)-2-piperidin-3-ylpropanamide
CID 83031438
4-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]cyclohexane-1-carboxamide
CID 83034807
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-2-piperidin-3-ylpropanamide
CID 107842717
N',N',2-trimethyl-2-piperidin-3-ylpropanehydrazide
CID 83199911
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 83198584
2-methyl-2-piperidin-3-yl-N-(4-propylcyclohexyl)propanamide
CID 83034570
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide (CID 83199774) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)NC1C=CS(=O)(=O)C1)C1CCCNC1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is MGAJNCATAHZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,10-4-3-6-14-8-10)12(16)15-11-5-7-19(17,18)9-11/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83199774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).