4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine

C15H26F3NOS — CID 79959279

IUPAC4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H26F3NOS/c1-2-7-19-13(3-5-15(16,17)18)12-4-8-20-14(10-12)6-9-21-11-14/h12-13,19H,2-11H2,1H3
InChIKeyWKQBGFJAYSQEOB-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.00
Rot. Bonds6

About 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine (PubChem CID 79959279) has the molecular formula C15H26F3NOS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
PubChem CID79959279
Molecular FormulaC15H26F3NOS
Molecular Weight325.44 g/mol
Exact Mass325.17
IUPAC Name4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H26F3NOS/c1-2-7-19-13(3-5-15(16,17)18)12-4-8-20-14(10-12)6-9-21-11-14/h12-13,19H,2-11H2,1H3
InChIKeyWKQBGFJAYSQEOB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-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 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine (CID 79959279) is 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
The InChIKey is WKQBGFJAYSQEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NOS/c1-2-7-19-13(3-5-15(16,17)18)12-4-8-20-14(10-12)6-9-21-11-14/h12-13,19H,2-11H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine has a molecular weight of 325.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79959279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).