N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine

C10H15N3O2S — CID 131041447

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C10H15N3O2S/c1-3-10(14-5-6-15-10)4-2-8(1)13-9-11-7-12-16-9/h7-8H,1-6H2,(H,11,12,13)
InChIKeyLFXKAWKPPMKSJT-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.64
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 131041447) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine
PubChem CID131041447
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C10H15N3O2S/c1-3-10(14-5-6-15-10)4-2-8(1)13-9-11-7-12-16-9/h7-8H,1-6H2,(H,11,12,13)
InChIKeyLFXKAWKPPMKSJT-UHFFFAOYSA-N
XLogP1.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine (CID 131041447) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine is c1nsc(NC2CCC3(CC2)OCCO3)n1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LFXKAWKPPMKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-10(14-5-6-15-10)4-2-8(1)13-9-11-7-12-16-9/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131041447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).