[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide

C14H28N2O3S — CID 56786895

IUPAC[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
SMILESCCCCC(CC)C(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C14H28N2O3S/c1-3-5-6-13(4-2)14(17)16-9-7-12(8-10-16)11-20(15,18)19/h12-13H,3-11H2,1-2H3,(H2,15,18,19)
InChIKeyFFRHCDZZCDVZDU-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.73
Rot. Bonds7

About [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide

[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 56786895) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
PubChem CID56786895
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
SMILESCCCCC(CC)C(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C14H28N2O3S/c1-3-5-6-13(4-2)14(17)16-9-7-12(8-10-16)11-20(15,18)19/h12-13H,3-11H2,1-2H3,(H2,15,18,19)
InChIKeyFFRHCDZZCDVZDU-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
[1-[(2S)-2-butylsulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 95338369
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide (CID 56786895) is [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide is CCCCC(CC)C(=O)N1CCC(CS(N)(=O)=O)CC1.
What is the InChIKey of [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is FFRHCDZZCDVZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-5-6-13(4-2)14(17)16-9-7-12(8-10-16)11-20(15,18)19/h12-13H,3-11H2,1-2H3,(H2,15,18,19).
What are the key properties of [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide?
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 56786895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).