9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one

C16H19F3N2O4S — CID 162630725

IUPAC9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H19F3N2O4S/c1-20-10-2-8-15(14(20)22)9-3-11-21(15)26(23,24)13-6-4-12(5-7-13)25-16(17,18)19/h4-7H,2-3,8-11H2,1H3
InChIKeyHLWAWYAXORYADD-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.36
Rot. Bonds3

About 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one

9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630725) has the molecular formula C16H19F3N2O4S and a molecular weight of 392.40 g/mol. Its IUPAC name is 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162630725
Molecular FormulaC16H19F3N2O4S
Molecular Weight392.40 g/mol
Exact Mass392.10
IUPAC Name9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H19F3N2O4S/c1-20-10-2-8-15(14(20)22)9-3-11-21(15)26(23,24)13-6-4-12(5-7-13)25-16(17,18)19/h4-7H,2-3,8-11H2,1H3
InChIKeyHLWAWYAXORYADD-UHFFFAOYSA-N
XLogP2.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one (CID 162630725) is 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is HLWAWYAXORYADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O4S/c1-20-10-2-8-15(14(20)22)9-3-11-21(15)26(23,24)13-6-4-12(5-7-13)25-16(17,18)19/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 392.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).