3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

C15H26F3NOS — CID 79908395

IUPAC3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H26F3NOS/c1-2-6-19-13(11-15(16,17)18)12-3-7-20-14(10-12)4-8-21-9-5-14/h12-13,19H,2-11H2,1H3
InChIKeyKYUQGSIGJPHFSH-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.00
Rot. Bonds5

About 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (PubChem CID 79908395) has the molecular formula C15H26F3NOS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
PubChem CID79908395
Molecular FormulaC15H26F3NOS
Molecular Weight325.44 g/mol
Exact Mass325.17
IUPAC Name3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H26F3NOS/c1-2-6-19-13(11-15(16,17)18)12-3-7-20-14(10-12)4-8-21-9-5-14/h12-13,19H,2-11H2,1H3
InChIKeyKYUQGSIGJPHFSH-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine 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 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (CID 79908395) is 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The InChIKey is KYUQGSIGJPHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NOS/c1-2-6-19-13(11-15(16,17)18)12-3-7-20-14(10-12)4-8-21-9-5-14/h12-13,19H,2-11H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine has a molecular weight of 325.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79908395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).