N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine

C12H20F3NOS — CID 114187750

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)SCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)18-8-6-16-10-3-7-17-11(9-10)4-1-2-5-11/h10,16H,1-9H2
InChIKeyRZLQRTUHJNLJFY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine

N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 114187750) has the molecular formula C12H20F3NOS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID114187750
Molecular FormulaC12H20F3NOS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)SCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)18-8-6-16-10-3-7-17-11(9-10)4-1-2-5-11/h10,16H,1-9H2
InChIKeyRZLQRTUHJNLJFY-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106429672
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
CID 106291931
N-[2-(trifluoromethylsulfanyl)ethyl]spiro[4.5]decan-8-amine
CID 106426858
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895066
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
CID 83120645
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine (CID 114187750) is N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine is FC(F)(F)SCCNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is RZLQRTUHJNLJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NOS/c13-12(14,15)18-8-6-16-10-3-7-17-11(9-10)4-1-2-5-11/h10,16H,1-9H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 283.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 114187750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).