(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide

C16H21FN2O4S — CID 97156286

IUPAC(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C16H21FN2O4S/c1-2-19-11-12(3-8-15(19)20)16(21)18-9-10-24(22,23)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeySAMXTYLKDVAKLV-LBPRGKRZSA-N
MW356.42 g/mol
LogP0.97
Rot. Bonds6

About (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide

(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97156286) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide
PubChem CID97156286
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C16H21FN2O4S/c1-2-19-11-12(3-8-15(19)20)16(21)18-9-10-24(22,23)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeySAMXTYLKDVAKLV-LBPRGKRZSA-N
XLogP0.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 72937364
1-tert-butyl-N-[2-(4-fluorophenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46978089
N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155510027
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 74245198
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
CID 97119377
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
(3R)-N-(2-ethoxyethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42463392
(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97119210
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56558633
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide (CID 97156286) is (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide is CCN1C[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCC1=O.
What is the InChIKey of (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is SAMXTYLKDVAKLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-2-19-11-12(3-8-15(19)20)16(21)18-9-10-24(22,23)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97156286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).