4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine

C16H24FN3O2S — CID 141057862

IUPAC4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
SMILESC[C@@]1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)CNCN1
InChIInChI=1S/C16H24FN3O2S/c1-16(10-18-12-19-16)11-23(21,22)20-8-6-14(7-9-20)13-2-4-15(17)5-3-13/h2-5,14,18-19H,6-12H2,1H3/t16-/m0/s1
InChIKeyMLDIUJSEWFONGP-INIZCTEOSA-N
MW341.45 g/mol
LogP1.24
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine

4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine (PubChem CID 141057862) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
PubChem CID141057862
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC Name4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
SMILESC[C@@]1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)CNCN1
InChIInChI=1S/C16H24FN3O2S/c1-16(10-18-12-19-16)11-23(21,22)20-8-6-14(7-9-20)13-2-4-15(17)5-3-13/h2-5,14,18-19H,6-12H2,1H3/t16-/m0/s1
InChIKeyMLDIUJSEWFONGP-INIZCTEOSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((3R,4R)-4-(2''-fluorobiphenyl-4-yl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11610515
5-[[4-(4-Fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133513
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)ethanesulfonamide
CID 71784665
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)butane-1-sulfonamide
CID 71784668
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)propane-2-sulfonamide
CID 71784670
N-(tert-butyl)-4-(((2,5-difluorophenyl)methylsulfonamido)methyl)piperidine-1-carboxamide
CID 71796758
1-[(2-Fluorophenyl)methylsulfonyl]-4-pyrrolidin-3-ylpiperidine
CID 91910161
1-[(4-Fluorophenyl)methanesulfonyl]-4-(pyrrolidin-3-YL)piperidine
CID 91910163
1-[(3-fluorobenzyl)sulfonyl]-4-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 91910164
N-[3-(3-Fluorophenyl)-2-(2-oxoimidazolidin-1-YL)propyl]propane-1-sulfonamide
CID 71784666
(3R,4S)-1-[(4-fluorophenyl)methylsulfonyl]-4-propylpyrrolidin-3-amine
CID 72912547
N-[1-[[(2R)-2-(4-fluorophenyl)propyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 97611193

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
The IUPAC name of 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine (CID 141057862) is 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine is C[C@@]1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)CNCN1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
The InChIKey is MLDIUJSEWFONGP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c1-16(10-18-12-19-16)11-23(21,22)20-8-6-14(7-9-20)13-2-4-15(17)5-3-13/h2-5,14,18-19H,6-12H2,1H3/t16-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine has a molecular weight of 341.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine is sourced from PubChem (CID 141057862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).