N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C13H23NO2S — CID 79903431

IUPACN-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1COCC(NC2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C13H23NO2S/c1-2-12(9-15-5-1)14-11-3-6-16-13(8-11)4-7-17-10-13/h11-12,14H,1-10H2
InChIKeyBPJDKWVJCLKEHP-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.81
Rot. Bonds2

About N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79903431) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79903431
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1COCC(NC2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C13H23NO2S/c1-2-12(9-15-5-1)14-11-3-6-16-13(8-11)4-7-17-10-13/h11-12,14H,1-10H2
InChIKeyBPJDKWVJCLKEHP-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79903431) is N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is C1COCC(NC2CCOC3(CCSC3)C2)C1.
What is the InChIKey of N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is BPJDKWVJCLKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-2-12(9-15-5-1)14-11-3-6-16-13(8-11)4-7-17-10-13/h11-12,14H,1-10H2.
What are the key properties of N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 257.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).