4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine

C16H23F2N3O2S — CID 123614836

IUPAC4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine
SMILESCS(=O)(=O)c1cc(F)c(CN2CCN(C3CCNCC3)C2)c(F)c1
InChIInChI=1S/C16H23F2N3O2S/c1-24(22,23)13-8-15(17)14(16(18)9-13)10-20-6-7-21(11-20)12-2-4-19-5-3-12/h8-9,12,19H,2-7,10-11H2,1H3
InChIKeyNGUPAVVSLGETEE-UHFFFAOYSA-N
MW359.44 g/mol
LogP1.20
Rot. Bonds4

About 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine

4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine (PubChem CID 123614836) has the molecular formula C16H23F2N3O2S and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine
PubChem CID123614836
Molecular FormulaC16H23F2N3O2S
Molecular Weight359.44 g/mol
Exact Mass359.15
IUPAC Name4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine
SMILESCS(=O)(=O)c1cc(F)c(CN2CCN(C3CCNCC3)C2)c(F)c1
InChIInChI=1S/C16H23F2N3O2S/c1-24(22,23)13-8-15(17)14(16(18)9-13)10-20-6-7-21(11-20)12-2-4-19-5-3-12/h8-9,12,19H,2-7,10-11H2,1H3
InChIKeyNGUPAVVSLGETEE-UHFFFAOYSA-N
XLogP1.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(Methylsulfonyl)benzyl]-2,8-diazaspiro[4.5]decane
CID 56713352
N-(6,7-difluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 119034228
N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 137999803
5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-N-pentylpyrrolidin-2-amine
CID 22250453
5-(4-fluorophenyl)-N-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-amine
CID 69596749
(2RS,5RS)-[5-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-propylamine
CID 69596828
N-butyl-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-amine
CID 69596835
N-ethyl-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-amine
CID 69596843
4-(3-(2,5-Difluoro-4-(methylsulfonyl)benzyl)-2-oxoimidazolidin-1-yl)piperidine-1-carbonitrile
CID 89580334
1-(2,5-Difluoro-4-(methylsulfonyl)benzyl)-3-(piperidin-4-yl)imidazolidin-2-one 2,2,2-trifluoroacetate
CID 89580648
1-[(2,5-Difluoro-4-methylsulfonylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 89580649
[1-[(2,5-Difluoro-4-methylsulfonylphenyl)methyl]-2-oxo-3-piperidin-4-ylimidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 89580653

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine?
The IUPAC name of 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine (CID 123614836) is 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine.
What is the SMILES notation for 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine?
The canonical SMILES for 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine is CS(=O)(=O)c1cc(F)c(CN2CCN(C3CCNCC3)C2)c(F)c1.
What is the InChIKey of 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine?
The InChIKey is NGUPAVVSLGETEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2S/c1-24(22,23)13-8-15(17)14(16(18)9-13)10-20-6-7-21(11-20)12-2-4-19-5-3-12/h8-9,12,19H,2-7,10-11H2,1H3.
What are the key properties of 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine?
4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine has a molecular weight of 359.44 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,6-difluoro-4-methylsulfonylphenyl)methyl]imidazolidin-1-yl]piperidine is sourced from PubChem (CID 123614836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).