2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine

C13H23NO2S — CID 113395292

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine
SMILESNC1CCCC1OC1CCOC2(CCSC2)C1
InChIInChI=1S/C13H23NO2S/c14-11-2-1-3-12(11)16-10-4-6-15-13(8-10)5-7-17-9-13/h10-12H,1-9,14H2
InChIKeyLBQFLXSAJPXPAF-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.94
Rot. Bonds2

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine

2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine (PubChem CID 113395292) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine
PubChem CID113395292
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine
SMILESNC1CCCC1OC1CCOC2(CCSC2)C1
InChIInChI=1S/C13H23NO2S/c14-11-2-1-3-12(11)16-10-4-6-15-13(8-10)5-7-17-9-13/h10-12H,1-9,14H2
InChIKeyLBQFLXSAJPXPAF-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine 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

methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate
CID 114450574
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
CID 79900572
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
CID 79894474
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308
9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79907628
9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79924175
5-bromo-4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 103482994
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine (CID 113395292) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine is NC1CCCC1OC1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine?
The InChIKey is LBQFLXSAJPXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c14-11-2-1-3-12(11)16-10-4-6-15-13(8-10)5-7-17-9-13/h10-12H,1-9,14H2.
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine?
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine is sourced from PubChem (CID 113395292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).