4-methyl-N-methylsulfonylpiperidine-2-carboxamide

C8H16N2O3S — CID 103287766

IUPAC4-methyl-N-methylsulfonylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NS(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6-3-4-9-7(5-6)8(11)10-14(2,12)13/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyXGQYNRUITLGVDF-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.55
Rot. Bonds2

About 4-methyl-N-methylsulfonylpiperidine-2-carboxamide

4-methyl-N-methylsulfonylpiperidine-2-carboxamide (PubChem CID 103287766) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-methyl-N-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-methylsulfonylpiperidine-2-carboxamide
PubChem CID103287766
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-methyl-N-methylsulfonylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NS(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6-3-4-9-7(5-6)8(11)10-14(2,12)13/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyXGQYNRUITLGVDF-UHFFFAOYSA-N
XLogP-0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylpiperidine-2-carbohydrazide
CID 114424068
N',N',4-trimethylpiperidine-2-carbohydrazide
CID 114424419
4-methyl-N-(thiolan-3-yl)piperidine-2-carboxamide
CID 103063009
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 113342121
4-methyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-2-carboxamide
CID 114423167
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 115866989

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-methylsulfonylpiperidine-2-carboxamide (CID 103287766) is 4-methyl-N-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-methylsulfonylpiperidine-2-carboxamide is CC1CCNC(C(=O)NS(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-N-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is XGQYNRUITLGVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6-3-4-9-7(5-6)8(11)10-14(2,12)13/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-methyl-N-methylsulfonylpiperidine-2-carboxamide?
4-methyl-N-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 103287766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).