2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine

C13H18N2O2S2 — CID 79911392

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H18N2O2S2/c14-11-2-1-5-15-12(11)19(16)10-3-6-17-13(8-10)4-7-18-9-13/h1-2,5,10H,3-4,6-9,14H2
InChIKeyPXIKKHOCYXPPOH-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.83
Rot. Bonds2

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine

2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine (PubChem CID 79911392) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine
PubChem CID79911392
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H18N2O2S2/c14-11-2-1-5-15-12(11)19(16)10-3-6-17-13(8-10)4-7-18-9-13/h1-2,5,10H,3-4,6-9,14H2
InChIKeyPXIKKHOCYXPPOH-UHFFFAOYSA-N
XLogP1.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 79912178
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 81180805
3-bromo-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 82834479
3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)aniline
CID 81184824
2-(2,2,5,5-tetramethyloxolan-3-yl)sulfinylpyridin-3-amine
CID 114623799
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)furan-2-carboxylic acid
CID 79908483
2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
CID 61367917
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
CID 97235146
4-(1-oxaspiro[5.5]undecan-4-ylsulfinyl)pyridin-3-amine
CID 79911140
(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 97234841
N-(1-pyridin-2-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895334

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine (CID 79911392) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine is Nc1cccnc1S(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine?
The InChIKey is PXIKKHOCYXPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c14-11-2-1-5-15-12(11)19(16)10-3-6-17-13(8-10)4-7-18-9-13/h1-2,5,10H,3-4,6-9,14H2.
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine?
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine has a molecular weight of 298.43 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 79911392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).