N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C12H21NO2S — CID 80713723

IUPACN-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(NC2CCOC3(CCSC3)C2)CO1
InChIInChI=1S/C12H21NO2S/c1-4-14-8-11(1)13-10-2-5-15-12(7-10)3-6-16-9-12/h10-11,13H,1-9H2
InChIKeyJLJJRGCYAQPXJM-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.42
Rot. Bonds2

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

N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 80713723) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID80713723
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(NC2CCOC3(CCSC3)C2)CO1
InChIInChI=1S/C12H21NO2S/c1-4-14-8-11(1)13-10-2-5-15-12(7-10)3-6-16-9-12/h10-11,13H,1-9H2
InChIKeyJLJJRGCYAQPXJM-UHFFFAOYSA-N
XLogP1.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80720172
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 80713723) is N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is C1CC(NC2CCOC3(CCSC3)C2)CO1.
What is the InChIKey of N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is JLJJRGCYAQPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-14-8-11(1)13-10-2-5-15-12(7-10)3-6-16-9-12/h10-11,13H,1-9H2.
What are the key properties of N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 243.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 80713723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).