3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C16H27NOS — CID 105018043

IUPAC3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(C1CC2CC2C1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H27NOS/c17-15(14-8-12-7-13(12)9-14)11-1-4-18-16(10-11)2-5-19-6-3-16/h11-15H,1-10,17H2
InChIKeyVHODWWLAMNICMJ-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.05
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105018043) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105018043
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(C1CC2CC2C1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H27NOS/c17-15(14-8-12-7-13(12)9-14)11-1-4-18-16(10-11)2-5-19-6-3-16/h11-15H,1-10,17H2
InChIKeyVHODWWLAMNICMJ-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine with MolForge

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Related Compounds

cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010294
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
2-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116719811
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(3-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018106
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79915094
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
(2-methyloxolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017875
(3,5-difluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79908412

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 105018043) is 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is NC(C1CC2CC2C1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is VHODWWLAMNICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c17-15(14-8-12-7-13(12)9-14)11-1-4-18-16(10-11)2-5-19-6-3-16/h11-15H,1-10,17H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 281.46 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105018043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).