7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C17H23F2NO2S — CID 168907413

IUPAC7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESC[C@H](Cc1ccc(F)c(F)c1)CN1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C17H23F2NO2S/c1-13(8-14-2-3-15(18)16(19)9-14)10-20-6-4-17(5-7-20)11-23(21,22)12-17/h2-3,9,13H,4-8,10-12H2,1H3/t13-/m1/s1
InChIKeyUIWDRKHNJALKMF-CYBMUJFWSA-N
MW343.44 g/mol
LogP2.65
Rot. Bonds4

About 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907413) has the molecular formula C17H23F2NO2S and a molecular weight of 343.44 g/mol. Its IUPAC name is 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907413
Molecular FormulaC17H23F2NO2S
Molecular Weight343.44 g/mol
Exact Mass343.14
IUPAC Name7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESC[C@H](Cc1ccc(F)c(F)c1)CN1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C17H23F2NO2S/c1-13(8-14-2-3-15(18)16(19)9-14)10-20-6-4-17(5-7-20)11-23(21,22)12-17/h2-3,9,13H,4-8,10-12H2,1H3/t13-/m1/s1
InChIKeyUIWDRKHNJALKMF-CYBMUJFWSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide 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

Ordopidine
CID 11701939
Seridopidine
CID 11572784
1-(4-(3,4-Difluorophenyl)piperidin-1-yl)-3-methanesulfonylpropan-1-one
CID 75369734
4-(3-Phenylpropyl)-1,4-thiazinane 1,1-dioxide
CID 318457
Piperidine, 4-(ethylsulfonyl)-1-methyl-4-phenyl-, hydrochloride
CID 3063884
1-(Allylsulfonyl)-3-[2-(2,6-difluorophenyl)ethyl]piperidine
CID 45175834
1-[(3,5-Difluorophenyl)methanesulfonyl]-4-[(3-methylpiperidin-1-YL)methyl]piperidine
CID 50848397
1-[(2-Fluorophenyl)methanesulfonyl]-4-[(3-methylpiperidin-1-YL)methyl]piperidine
CID 50848398
1-((3-Fluorobenzyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805709
4-Benzylidene-1-(2-methylsulfonylethyl)piperidine
CID 71861800
3-Methyl-4-[3-[4-(trifluoromethyl)phenyl]propyl]-1,4-thiazinane 1,1-dioxide
CID 71979084
[4-[3-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]phenyl]-trimethylsilane
CID 127026012

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907413) is 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is C[C@H](Cc1ccc(F)c(F)c1)CN1CCC2(CC1)CS(=O)(=O)C2.
What is the InChIKey of 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is UIWDRKHNJALKMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F2NO2S/c1-13(8-14-2-3-15(18)16(19)9-14)10-20-6-4-17(5-7-20)11-23(21,22)12-17/h2-3,9,13H,4-8,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 343.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-3-(3,4-difluorophenyl)-2-methylpropyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).