2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide

C8H16N2O3S — CID 134541308

IUPAC2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide
SMILESC[C@H]1CCCC(=O)N1CCS(N)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7-3-2-4-8(11)10(7)5-6-14(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)/t7-/m0/s1
InChIKeyMXDRLDAVMYBZJD-ZETCQYMHSA-N
MW220.29 g/mol
LogP-0.32
Rot. Bonds3

About 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide

2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide (PubChem CID 134541308) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide
PubChem CID134541308
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide
SMILESC[C@H]1CCCC(=O)N1CCS(N)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7-3-2-4-8(11)10(7)5-6-14(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)/t7-/m0/s1
InChIKeyMXDRLDAVMYBZJD-ZETCQYMHSA-N
XLogP-0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
CID 122702147
6-methyl-1-(3-trimethoxysilylpropyl)piperidin-2-one
CID 141175664
ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
CID 145214159
1-iodo-6-methylpiperidin-2-one
CID 135233240
5-methyl-1-(2-nitrosoethyl)pyrrolidin-2-one
CID 137397074
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
1-(4-chlorobutyl)-5-methylpyrrolidin-2-one
CID 130160492
(6R)-1-[2-[[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]ethyl]-6-methylpiperidin-2-one
CID 160562641
2-(2-methylpiperazin-1-yl)ethanesulfonamide
CID 114385448
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 84585850
methyl 5-[3-(2-methyl-6-oxopiperidin-1-yl)propyl]thiophene-2-carboxylate
CID 142944235
2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 81466039

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide (CID 134541308) is 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide is C[C@H]1CCCC(=O)N1CCS(N)(=O)=O.
What is the InChIKey of 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide?
The InChIKey is MXDRLDAVMYBZJD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7-3-2-4-8(11)10(7)5-6-14(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide?
2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-6-oxopiperidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 134541308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).