(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine

C19H24FN3O2S — CID 97201152

IUPAC(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1F)N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C19H24FN3O2S/c20-17-8-1-2-9-18(17)26(24,25)23-11-4-7-16(14-23)19-21-10-12-22(19)13-15-5-3-6-15/h1-2,8-10,12,15-16H,3-7,11,13-14H2/t16-/m0/s1
InChIKeyOKAHJYYJOURTFL-INIZCTEOSA-N
MW377.49 g/mol
LogP3.39
Rot. Bonds5

About (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine

(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine (PubChem CID 97201152) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine
PubChem CID97201152
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1F)N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C19H24FN3O2S/c20-17-8-1-2-9-18(17)26(24,25)23-11-4-7-16(14-23)19-21-10-12-22(19)13-15-5-3-6-15/h1-2,8-10,12,15-16H,3-7,11,13-14H2/t16-/m0/s1
InChIKeyOKAHJYYJOURTFL-INIZCTEOSA-N
XLogP3.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine
CID 72900633
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 72903991
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879448
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187128
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine?
The IUPAC name of (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine (CID 97201152) is (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccccc1F)N1CCC[C@H](c2nccn2CC2CCC2)C1.
What is the InChIKey of (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine?
The InChIKey is OKAHJYYJOURTFL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c20-17-8-1-2-9-18(17)26(24,25)23-11-4-7-16(14-23)19-21-10-12-22(19)13-15-5-3-6-15/h1-2,8-10,12,15-16H,3-7,11,13-14H2/t16-/m0/s1.
What are the key properties of (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine?
(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine has a molecular weight of 377.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 97201152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).