6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine

C14H20N2O2S — CID 79905560

IUPAC6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC2CCOC3(CCOCC3)C2)nc1
InChIInChI=1S/C14H20N2O2S/c15-11-1-2-13(16-10-11)19-12-3-6-18-14(9-12)4-7-17-8-5-14/h1-2,10,12H,3-9,15H2
InChIKeyWEGIAIFUOGWMQX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.48
Rot. Bonds2

About 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine

6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine (PubChem CID 79905560) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine
PubChem CID79905560
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC2CCOC3(CCOCC3)C2)nc1
InChIInChI=1S/C14H20N2O2S/c15-11-1-2-13(16-10-11)19-12-3-6-18-14(9-12)4-7-17-8-5-14/h1-2,10,12H,3-9,15H2
InChIKeyWEGIAIFUOGWMQX-UHFFFAOYSA-N
XLogP2.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-3-ylsulfanyl)pyridin-3-amine
CID 63558770
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyrimidine-4,6-diamine
CID 79905350
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-3-fluoroaniline
CID 79906293
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 79911996
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-5-methylaniline
CID 79906435
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methoxyaniline
CID 79902891
5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 79905703
[2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 79901182
[5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630436
4-[[(9R)-6-oxaspiro[4.5]decan-9-yl]sulfanyl]-2H-triazole
CID 125420580
3-bromo-4-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)aniline
CID 82841899
3-chloro-4-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)aniline
CID 79905780

Frequently Asked Questions

What is the IUPAC name of 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine (CID 79905560) is 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine is Nc1ccc(SC2CCOC3(CCOCC3)C2)nc1.
What is the InChIKey of 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine?
The InChIKey is WEGIAIFUOGWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-11-1-2-13(16-10-11)19-12-3-6-18-14(9-12)4-7-17-8-5-14/h1-2,10,12H,3-9,15H2.
What are the key properties of 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine?
6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine has a molecular weight of 280.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 79905560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).