N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H23NO2S — CID 80720172

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(NC2CC3CCC2O3)CC2(CCSC2)O1
InChIInChI=1S/C14H23NO2S/c1-2-13-12(7-11(1)17-13)15-10-3-5-16-14(8-10)4-6-18-9-14/h10-13,15H,1-9H2
InChIKeyMQQJAQBMPUEUBE-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.95
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 80720172) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID80720172
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(NC2CC3CCC2O3)CC2(CCSC2)O1
InChIInChI=1S/C14H23NO2S/c1-2-13-12(7-11(1)17-13)15-10-3-5-16-14(8-10)4-6-18-9-14/h10-13,15H,1-9H2
InChIKeyMQQJAQBMPUEUBE-UHFFFAOYSA-N
XLogP1.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine with MolForge

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 80721035
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921658
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79915094
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
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-(2-methyloxolan-3-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82725580
N-(2,2-dimethyl-1,3-dioxan-5-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106658878

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 80720172) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is C1CC(NC2CC3CCC2O3)CC2(CCSC2)O1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is MQQJAQBMPUEUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-2-13-12(7-11(1)17-13)15-10-3-5-16-14(8-10)4-6-18-9-14/h10-13,15H,1-9H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 269.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 80720172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).