(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane

C16H26F3NO4S — CID 129347386

IUPAC(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane
SMILESC[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@@]2(CCCOC2)O1
InChIInChI=1S/C16H26F3NO4S/c1-12-9-20(10-15(24-12)7-2-8-23-11-15)25(21,22)14-5-3-13(4-6-14)16(17,18)19/h12-14H,2-11H2,1H3/t12-,13?,14?,15-/m1/s1
InChIKeyUANUYKYNPRMJCH-XSCHDIRWSA-N
MW385.45 g/mol
LogP2.71
Rot. Bonds2

About (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane

(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane (PubChem CID 129347386) has the molecular formula C16H26F3NO4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane
PubChem CID129347386
Molecular FormulaC16H26F3NO4S
Molecular Weight385.45 g/mol
Exact Mass385.15
IUPAC Name(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane
SMILESC[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@@]2(CCCOC2)O1
InChIInChI=1S/C16H26F3NO4S/c1-12-9-20(10-15(24-12)7-2-8-23-11-15)25(21,22)14-5-3-13(4-6-14)16(17,18)19/h12-14H,2-11H2,1H3/t12-,13?,14?,15-/m1/s1
InChIKeyUANUYKYNPRMJCH-XSCHDIRWSA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane (CID 129347386) is (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane is C[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@@]2(CCCOC2)O1.
What is the InChIKey of (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is UANUYKYNPRMJCH-XSCHDIRWSA-N. The full InChI is InChI=1S/C16H26F3NO4S/c1-12-9-20(10-15(24-12)7-2-8-23-11-15)25(21,22)14-5-3-13(4-6-14)16(17,18)19/h12-14H,2-11H2,1H3/t12-,13?,14?,15-/m1/s1.
What are the key properties of (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane?
(2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 385.45 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-1,8-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 129347386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).