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

C15H25NO2S — CID 79915094

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCOC2(CCSC2)C1)C1CC2CCC1O2
InChIInChI=1S/C15H25NO2S/c16-14(12-7-11-1-2-13(12)18-11)10-3-5-17-15(8-10)4-6-19-9-15/h10-14H,1-9,16H2
InChIKeyHVIOEKQJNRTZTK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.18
Rot. Bonds2

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

7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 79915094) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID79915094
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCOC2(CCSC2)C1)C1CC2CCC1O2
InChIInChI=1S/C15H25NO2S/c16-14(12-7-11-1-2-13(12)18-11)10-3-5-17-15(8-10)4-6-19-9-15/h10-14H,1-9,16H2
InChIKeyHVIOEKQJNRTZTK-UHFFFAOYSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921658
(2-methyloxolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017875
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80720172
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018043
2-methyl-2-morpholin-4-yl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79906960
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017661

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 79915094) is 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is NC(C1CCOC2(CCSC2)C1)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is HVIOEKQJNRTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c16-14(12-7-11-1-2-13(12)18-11)10-3-5-17-15(8-10)4-6-19-9-15/h10-14H,1-9,16H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 79915094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).