(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide

C17H23FN2O4S — CID 92626037

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide
SMILESCC1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)COC1
InChIInChI=1S/C17H23FN2O4S/c1-17(11-24-12-17)10-19-16(21)15-4-2-3-9-20(15)25(22,23)14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyIJIOPGAIHQOINM-OAHLLOKOSA-N
MW370.45 g/mol
LogP1.52
Rot. Bonds5

About (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 92626037) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide
PubChem CID92626037
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide
SMILESCC1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)COC1
InChIInChI=1S/C17H23FN2O4S/c1-17(11-24-12-17)10-19-16(21)15-4-2-3-9-20(15)25(22,23)14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyIJIOPGAIHQOINM-OAHLLOKOSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010
1-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]butane-1,3-dione
CID 90796084
1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 42916117
1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 46286356
(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carbothioamide;(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 157080497
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011
(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865512
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide (CID 92626037) is (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide is CC1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)COC1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is IJIOPGAIHQOINM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-17(11-24-12-17)10-19-16(21)15-4-2-3-9-20(15)25(22,23)14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide?
(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 92626037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).