1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide

C8H15FN2O3S — CID 118531083

IUPAC1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide
SMILESCNS(=O)(=O)C(F)C(=O)N1CCCCC1
InChIInChI=1S/C8H15FN2O3S/c1-10-15(13,14)7(9)8(12)11-5-3-2-4-6-11/h7,10H,2-6H2,1H3
InChIKeySRJMWWVPKIPMDK-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.16
Rot. Bonds3

About 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide

1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide (PubChem CID 118531083) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide
PubChem CID118531083
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide
SMILESCNS(=O)(=O)C(F)C(=O)N1CCCCC1
InChIInChI=1S/C8H15FN2O3S/c1-10-15(13,14)7(9)8(12)11-5-3-2-4-6-11/h7,10H,2-6H2,1H3
InChIKeySRJMWWVPKIPMDK-UHFFFAOYSA-N
XLogP-0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid
CID 89457827
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one
CID 146517492
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
(2S,3S)-1,2,3-tri(piperidin-1-yl)butan-1-one
CID 92573696
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
5-(difluoromethyl)-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 102644445

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
The IUPAC name of 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide (CID 118531083) is 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
The canonical SMILES for 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide is CNS(=O)(=O)C(F)C(=O)N1CCCCC1.
What is the InChIKey of 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
The InChIKey is SRJMWWVPKIPMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-10-15(13,14)7(9)8(12)11-5-3-2-4-6-11/h7,10H,2-6H2,1H3.
What are the key properties of 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide has a molecular weight of 238.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide is sourced from PubChem (CID 118531083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).