3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide

C12H24N2O3S — CID 79551044

IUPAC3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-9-6-5-7-13-10(9)11(15)14-8-12(2,3)18(4,16)17/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyJLUKSEIQOBVZDE-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.31
Rot. Bonds4

About 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide

3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide (PubChem CID 79551044) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
PubChem CID79551044
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-9-6-5-7-13-10(9)11(15)14-8-12(2,3)18(4,16)17/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyJLUKSEIQOBVZDE-UHFFFAOYSA-N
XLogP0.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpiperidine-2-carboxamide
CID 62340118
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
CID 107068571
2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068050
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
3-methyl-N-(3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 107067190

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide (CID 79551044) is 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide is CC1CCCNC1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide?
The InChIKey is JLUKSEIQOBVZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9-6-5-7-13-10(9)11(15)14-8-12(2,3)18(4,16)17/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide?
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 79551044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).