2-(1-methylpiperidin-2-yl)ethanesulfonamide

C8H18N2O2S — CID 107912942

IUPAC2-(1-methylpiperidin-2-yl)ethanesulfonamide
SMILESCN1CCCCC1CCS(N)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-10-6-3-2-4-8(10)5-7-13(9,11)12/h8H,2-7H2,1H3,(H2,9,11,12)
InChIKeyLGSXZGFVBSRNQY-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds3

About 2-(1-methylpiperidin-2-yl)ethanesulfonamide

2-(1-methylpiperidin-2-yl)ethanesulfonamide (PubChem CID 107912942) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethanesulfonamide
PubChem CID107912942
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(1-methylpiperidin-2-yl)ethanesulfonamide
SMILESCN1CCCCC1CCS(N)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-10-6-3-2-4-8(10)5-7-13(9,11)12/h8H,2-7H2,1H3,(H2,9,11,12)
InChIKeyLGSXZGFVBSRNQY-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfonyl]aniline
CID 107914496
2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
CID 114015298
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine
CID 107914272
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine
CID 75390836
sodium 3-(1-methylpiperidin-2-yl)propanoate
CID 172639720
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethanesulfonamide?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethanesulfonamide (CID 107912942) is 2-(1-methylpiperidin-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethanesulfonamide is CN1CCCCC1CCS(N)(=O)=O.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethanesulfonamide?
The InChIKey is LGSXZGFVBSRNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10-6-3-2-4-8(10)5-7-13(9,11)12/h8H,2-7H2,1H3,(H2,9,11,12).
What are the key properties of 2-(1-methylpiperidin-2-yl)ethanesulfonamide?
2-(1-methylpiperidin-2-yl)ethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 107912942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).