cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C18H33NOS — CID 80610523

IUPACcyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(C1CCCCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H33NOS/c19-17(15-6-4-2-1-3-5-7-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-17H,1-14,19H2
InChIKeyVKYYZEFZDAOJJZ-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.37
Rot. Bonds2

About cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 80610523) has the molecular formula C18H33NOS and a molecular weight of 311.54 g/mol. Its IUPAC name is cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Namecyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID80610523
Molecular FormulaC18H33NOS
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Namecyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(C1CCCCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H33NOS/c19-17(15-6-4-2-1-3-5-7-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-17H,1-14,19H2
InChIKeyVKYYZEFZDAOJJZ-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018043
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105017958
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
2-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116719811

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 80610523) is cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is NC(C1CCCCCCC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is VKYYZEFZDAOJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c19-17(15-6-4-2-1-3-5-7-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-17H,1-14,19H2.
What are the key properties of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 311.54 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 80610523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).