N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide

C10H20N2O3S — CID 114500160

IUPACN,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C10H20N2O3S/c1-4-11(5-2)16(14,15)12-7-6-10(13)9(3)8-12/h9H,4-8H2,1-3H3
InChIKeyTXCFSMNWTYAZAL-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.48
Rot. Bonds4

About N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide

N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide (PubChem CID 114500160) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide
PubChem CID114500160
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C10H20N2O3S/c1-4-11(5-2)16(14,15)12-7-6-10(13)9(3)8-12/h9H,4-8H2,1-3H3
InChIKeyTXCFSMNWTYAZAL-UHFFFAOYSA-N
XLogP0.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-oxopiperidine-1-sulfonamide
CID 28753772
3-[(Dimethylamino)methyl]-1-methylpiperidin-4-one
CID 57833046
4-acetyl-N,N-dimethylpiperidine-1-sulfonamide
CID 57941125
CID 59303771
CID 59303771
Racemic 1-methanesulfonyl-3-methyl-piperidin-4-one
CID 67386424
1,1-Bis(2-methylpropyl)piperidin-1-ium-4-one;methyl sulfate
CID 87566478
3,3,5-Trimethyl-1-sulfanylpiperidin-4-one
CID 91145746
4-Methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one
CID 138722083
CID 140659668
CID 140659668
1,3-Dimethylpiperidin-4-one;methyl hydrogen sulfate
CID 173324950
N-methyl-4-(2-methylpropanoyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 177980859
1-(4-Methylpiperidin-1-yl)sulfonylpiperidin-4-one
CID 28785117

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide (CID 114500160) is N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(=O)C(C)C1.
What is the InChIKey of N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
The InChIKey is TXCFSMNWTYAZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-11(5-2)16(14,15)12-7-6-10(13)9(3)8-12/h9H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide is sourced from PubChem (CID 114500160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).