N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C11H18F3NOS — CID 79904037

IUPACN-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)2-4-15-9-1-5-16-10(7-9)3-6-17-8-10/h9,15H,1-8H2
InChIKeyWFTWXNINONLEJU-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.58
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79904037) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79904037
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC NameN-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)2-4-15-9-1-5-16-10(7-9)3-6-17-8-10/h9,15H,1-8H2
InChIKeyWFTWXNINONLEJU-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-Oxa-2-thiaspiro[4.5]decan-9-amine
CID 71756615
N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897878
N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898037
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903043
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903354
3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79908395
3,3,3-trifluoro-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914073
3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914175
N-ethyl-3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914733
N-ethyl-3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914823
3,3,3-Trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915035

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79904037) is N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is FC(F)(F)CCNC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is WFTWXNINONLEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS/c12-11(13,14)2-4-15-9-1-5-16-10(7-9)3-6-17-8-10/h9,15H,1-8H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 269.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79904037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).