N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H19F2NO2S — CID 43673133

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)Sc1ccc(NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19F2NO2S/c16-14(17)21-13-3-1-11(2-4-13)18-12-5-7-15(8-6-12)19-9-10-20-15/h1-4,12,14,18H,5-10H2
InChIKeyNFGYAARISGSTFB-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.10
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43673133) has the molecular formula C15H19F2NO2S and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43673133
Molecular FormulaC15H19F2NO2S
Molecular Weight315.38 g/mol
Exact Mass315.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)Sc1ccc(NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19F2NO2S/c16-14(17)21-13-3-1-11(2-4-13)18-12-5-7-15(8-6-12)19-9-10-20-15/h1-4,12,14,18H,5-10H2
InChIKeyNFGYAARISGSTFB-UHFFFAOYSA-N
XLogP4.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 43673133) is N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)Sc1ccc(NC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NFGYAARISGSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2S/c16-14(17)21-13-3-1-11(2-4-13)18-12-5-7-15(8-6-12)19-9-10-20-15/h1-4,12,14,18H,5-10H2.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 315.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43673133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).