7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

C17H23F2NO2S — CID 168907525

IUPAC7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESC[C@H](Cc1ccc(C(F)F)cc1)CN1CCC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C17H23F2NO2S/c1-13(8-14-2-4-15(5-3-14)16(18)19)9-20-7-6-17(10-20)11-23(21,22)12-17/h2-5,13,16H,6-12H2,1H3/t13-/m1/s1
InChIKeyRMICUCFTYHRIGS-CYBMUJFWSA-N
MW343.44 g/mol
LogP2.92
Rot. Bonds5

About 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (PubChem CID 168907525) has the molecular formula C17H23F2NO2S and a molecular weight of 343.44 g/mol. Its IUPAC name is 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
PubChem CID168907525
Molecular FormulaC17H23F2NO2S
Molecular Weight343.44 g/mol
Exact Mass343.14
IUPAC Name7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESC[C@H](Cc1ccc(C(F)F)cc1)CN1CCC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C17H23F2NO2S/c1-13(8-14-2-4-15(5-3-14)16(18)19)9-20-7-6-17(10-20)11-23(21,22)12-17/h2-5,13,16H,6-12H2,1H3/t13-/m1/s1
InChIKeyRMICUCFTYHRIGS-CYBMUJFWSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide with MolForge

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Related Compounds

1-(2-[(4-Methylbenzyl)sulfonyl]ethyl)pyrrolidine
CID 73053502
1-Methyl-1-{2-[(4-methylbenzyl)sulfonyl]ethyl}pyrrolidinium iodide
CID 73053503
1-{3-[(4-Methylbenzyl)sulfonyl]propyl}-pyrrolidine
CID 73053511
1-Methyl-1-{3-[(4-methylbenzyl)sulfonyl]propyl}pyrrolidinium iodide
CID 73053552
3-Methyl-4-[3-[4-(trifluoromethyl)phenyl]propyl]-1,4-thiazinane 1,1-dioxide
CID 71979084
US20240398781, Example 1D
CID 168906971
US20240398781, Example 1C
CID 168907086
US20240398781, Example 70A
CID 168907119
US20240398781, Example 1A
CID 168907121
US20240398781, Example 3A
CID 168907187
US20240398781, Example 1B
CID 168907249
US20240400579, Example 128A
CID 168907384

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (CID 168907525) is 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is C[C@H](Cc1ccc(C(F)F)cc1)CN1CCC2(C1)CS(=O)(=O)C2.
What is the InChIKey of 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The InChIKey is RMICUCFTYHRIGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F2NO2S/c1-13(8-14-2-4-15(5-3-14)16(18)19)9-20-7-6-17(10-20)11-23(21,22)12-17/h2-5,13,16H,6-12H2,1H3/t13-/m1/s1.
What are the key properties of 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide has a molecular weight of 343.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-3-[4-(difluoromethyl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 168907525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).