1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide

C12H24N2O3S — CID 7255930

IUPAC1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-5-10(2)13-12(15)11-6-8-14(9-7-11)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyIDVYSKRTXTZNGQ-JTQLQIEISA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds5

About 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide (PubChem CID 7255930) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
PubChem CID7255930
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-5-10(2)13-12(15)11-6-8-14(9-7-11)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyIDVYSKRTXTZNGQ-JTQLQIEISA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 47088084
1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46516639
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
CID 4136250
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 92802478
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide (CID 7255930) is 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide is CCC[C@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The InChIKey is IDVYSKRTXTZNGQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-5-10(2)13-12(15)11-6-8-14(9-7-11)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 7255930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).