(1-acetylpiperidin-4-yl)methanesulfonamide

C8H16N2O3S — CID 130657862

IUPAC(1-acetylpiperidin-4-yl)methanesulfonamide
SMILESCC(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3,(H2,9,12,13)
InChIKeyAWWAUDGZBVLAHK-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.47
Rot. Bonds2

About (1-acetylpiperidin-4-yl)methanesulfonamide

(1-acetylpiperidin-4-yl)methanesulfonamide (PubChem CID 130657862) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methanesulfonamide
PubChem CID130657862
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(1-acetylpiperidin-4-yl)methanesulfonamide
SMILESCC(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3,(H2,9,12,13)
InChIKeyAWWAUDGZBVLAHK-UHFFFAOYSA-N
XLogP-0.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 167928795
[1-[(2S)-2-butylsulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 95338369
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
N-(3-methylcyclopentyl)-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119040378
N-[(1R,3R)-3-methylcyclopentyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100727256
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
1-(4-ethylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 130157704
[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 57070298
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of (1-acetylpiperidin-4-yl)methanesulfonamide (CID 130657862) is (1-acetylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for (1-acetylpiperidin-4-yl)methanesulfonamide is CC(=O)N1CCC(CS(N)(=O)=O)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methanesulfonamide?
The InChIKey is AWWAUDGZBVLAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3,(H2,9,12,13).
What are the key properties of (1-acetylpiperidin-4-yl)methanesulfonamide?
(1-acetylpiperidin-4-yl)methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 130657862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).