4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine

C15H22N2O2S — CID 79911140

IUPAC4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H22N2O2S/c16-13-11-17-8-4-14(13)20(18)12-5-9-19-15(10-12)6-2-1-3-7-15/h4,8,11-12H,1-3,5-7,9-10,16H2
InChIKeyBNOVMIMRVPGJPG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.65
Rot. Bonds2

About 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine

4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine (PubChem CID 79911140) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine
PubChem CID79911140
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H22N2O2S/c16-13-11-17-8-4-14(13)20(18)12-5-9-19-15(10-12)6-2-1-3-7-15/h4,8,11-12H,1-3,5-7,9-10,16H2
InChIKeyBNOVMIMRVPGJPG-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(5-oxaspiro[3.5]nonan-8-ylsulfinyl)aniline
CID 81174592
4-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)aniline
CID 81193131
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfinyl)-4-fluoroaniline
CID 81192876
2-(2,6-dioxaspiro[4.5]decan-9-ylsulfinyl)-4-fluoroaniline
CID 81183255
3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)aniline
CID 81184824
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine
CID 79911392
4-chloro-3-(2,6-dioxaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 81201989
3-bromo-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 82834479
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 79912178
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine?
The IUPAC name of 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine (CID 79911140) is 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine?
The canonical SMILES for 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine is Nc1cnccc1S(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine?
The InChIKey is BNOVMIMRVPGJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-13-11-17-8-4-14(13)20(18)12-5-9-19-15(10-12)6-2-1-3-7-15/h4,8,11-12H,1-3,5-7,9-10,16H2.
What are the key properties of 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine?
4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine has a molecular weight of 294.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 79911140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).