8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C18H21F3N2O5S — CID 56602663

IUPAC8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)C1CC1)CC2O
InChIInChI=1S/C18H21F3N2O5S/c19-18(20,21)28-13-3-1-12(2-4-13)23-10-8-17(16(23)25)7-9-22(11-15(17)24)29(26,27)14-5-6-14/h1-4,14-15,24H,5-11H2
InChIKeyWCQFAMNMAUTWCJ-UHFFFAOYSA-N
MW434.44 g/mol
LogP1.87
Rot. Bonds4

About 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 56602663) has the molecular formula C18H21F3N2O5S and a molecular weight of 434.44 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID56602663
Molecular FormulaC18H21F3N2O5S
Molecular Weight434.44 g/mol
Exact Mass434.11
IUPAC Name8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)C1CC1)CC2O
InChIInChI=1S/C18H21F3N2O5S/c19-18(20,21)28-13-3-1-12(2-4-13)23-10-8-17(16(23)25)7-9-22(11-15(17)24)29(26,27)14-5-6-14/h1-4,14-15,24H,5-11H2
InChIKeyWCQFAMNMAUTWCJ-UHFFFAOYSA-N
XLogP1.87
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 56602663) is 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)C1CC1)CC2O.
What is the InChIKey of 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WCQFAMNMAUTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O5S/c19-18(20,21)28-13-3-1-12(2-4-13)23-10-8-17(16(23)25)7-9-22(11-15(17)24)29(26,27)14-5-6-14/h1-4,14-15,24H,5-11H2.
What are the key properties of 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 434.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 56602663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).