(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone

C20H24F3NO4S — CID 168907554

IUPAC(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
SMILESO=C(N1CCC2(CC1)CS(=O)(=O)C2)C1(Oc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C20H24F3NO4S/c21-20(22,23)15-3-5-16(6-4-15)28-19(7-1-2-8-19)17(25)24-11-9-18(10-12-24)13-29(26,27)14-18/h3-6H,1-2,7-14H2
InChIKeyVXNPTJRAQZBSNI-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.43
Rot. Bonds3

About (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone

(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone (PubChem CID 168907554) has the molecular formula C20H24F3NO4S and a molecular weight of 431.48 g/mol. Its IUPAC name is (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
PubChem CID168907554
Molecular FormulaC20H24F3NO4S
Molecular Weight431.48 g/mol
Exact Mass431.14
IUPAC Name(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
SMILESO=C(N1CCC2(CC1)CS(=O)(=O)C2)C1(Oc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C20H24F3NO4S/c21-20(22,23)15-3-5-16(6-4-15)28-19(7-1-2-8-19)17(25)24-11-9-18(10-12-24)13-29(26,27)14-18/h3-6H,1-2,7-14H2
InChIKeyVXNPTJRAQZBSNI-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]methyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907572
2-(4-methoxyphenyl)-1-[3-(4-methylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 24823972
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
CID 59647949
7-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907683
7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907431
1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
CID 156775962
7-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907187
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
CID 59648198
[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 59648057
7-[(3R)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907137
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907498

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone?
The IUPAC name of (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone (CID 168907554) is (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone.
What is the SMILES notation for (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone?
The canonical SMILES for (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone is O=C(N1CCC2(CC1)CS(=O)(=O)C2)C1(Oc2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone?
The InChIKey is VXNPTJRAQZBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO4S/c21-20(22,23)15-3-5-16(6-4-15)28-19(7-1-2-8-19)17(25)24-11-9-18(10-12-24)13-29(26,27)14-18/h3-6H,1-2,7-14H2.
What are the key properties of (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone?
(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone has a molecular weight of 431.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone is sourced from PubChem (CID 168907554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).