4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine

C16H24FN3O2S — CID 141197404

IUPAC4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
SMILESC[C@@]1(CS(=O)(=O)N2CCC(c3cccc(F)c3)CC2)CNCN1
InChIInChI=1S/C16H24FN3O2S/c1-16(10-18-12-19-16)11-23(21,22)20-7-5-13(6-8-20)14-3-2-4-15(17)9-14/h2-4,9,13,18-19H,5-8,10-12H2,1H3/t16-/m0/s1
InChIKeyCVVLAGLPDPPTRM-INIZCTEOSA-N
MW341.45 g/mol
LogP1.24
Rot. Bonds4

About 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine

4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine (PubChem CID 141197404) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
PubChem CID141197404
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC Name4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
SMILESC[C@@]1(CS(=O)(=O)N2CCC(c3cccc(F)c3)CC2)CNCN1
InChIInChI=1S/C16H24FN3O2S/c1-16(10-18-12-19-16)11-23(21,22)20-7-5-13(6-8-20)14-3-2-4-15(17)9-14/h2-4,9,13,18-19H,5-8,10-12H2,1H3/t16-/m0/s1
InChIKeyCVVLAGLPDPPTRM-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
The IUPAC name of 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine (CID 141197404) is 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
The canonical SMILES for 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine is C[C@@]1(CS(=O)(=O)N2CCC(c3cccc(F)c3)CC2)CNCN1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
The InChIKey is CVVLAGLPDPPTRM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c1-16(10-18-12-19-16)11-23(21,22)20-7-5-13(6-8-20)14-3-2-4-15(17)9-14/h2-4,9,13,18-19H,5-8,10-12H2,1H3/t16-/m0/s1.
What are the key properties of 4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine?
4-(3-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-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine is sourced from PubChem (CID 141197404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).