7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole

C19H30F3N3S — CID 168906945

IUPAC7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESC1CCC(N2CCC3(CSC3)C2)CC1.CC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H21NS.C7H9F3N2/c1-2-4-11(5-3-1)13-7-6-12(8-13)9-14-10-12;1-5(2)12-4-3-6(11-12)7(8,9)10/h11H,1-10H2;3-5H,1-2H3
InChIKeyOUVMURYLTIOMAV-UHFFFAOYSA-N
MW389.53 g/mol
LogP5.24
Rot. Bonds2

About 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole

7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 168906945) has the molecular formula C19H30F3N3S and a molecular weight of 389.53 g/mol. Its IUPAC name is 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID168906945
Molecular FormulaC19H30F3N3S
Molecular Weight389.53 g/mol
Exact Mass389.21
IUPAC Name7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESC1CCC(N2CCC3(CSC3)C2)CC1.CC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H21NS.C7H9F3N2/c1-2-4-11(5-3-1)13-7-6-12(8-13)9-14-10-12;1-5(2)12-4-3-6(11-12)7(8,9)10/h11H,1-10H2;3-5H,1-2H3
InChIKeyOUVMURYLTIOMAV-UHFFFAOYSA-N
XLogP5.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.53
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole 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

ethane;propane;7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-thia-7-azaspiro[3.4]octane
CID 168907006
(5R)-7-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2-thia-7-azaspiro[4.4]nonane
CID 168907043
7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
CID 168906728
7-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
CID 168906936
8-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-8-azaspiro[3.5]nonane
CID 168907245
7-[4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907178
7-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907261
7-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907336
7-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907011
7-[4-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907122
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 168906945) is 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole is C1CCC(N2CCC3(CSC3)C2)CC1.CC(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is OUVMURYLTIOMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS.C7H9F3N2/c1-2-4-11(5-3-1)13-7-6-12(8-13)9-14-10-12;1-5(2)12-4-3-6(11-12)7(8,9)10/h11H,1-10H2;3-5H,1-2H3.
What are the key properties of 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 389.53 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 168906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).