5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine

C13H17ClN2OS — CID 79920215

IUPAC5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H17ClN2OS/c14-10-5-11(12(15)16-7-10)9-1-3-17-13(6-9)2-4-18-8-13/h5,7,9H,1-4,6,8H2,(H2,15,16)
InChIKeyVKVORBQNKMEMNY-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine

5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine (PubChem CID 79920215) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
PubChem CID79920215
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H17ClN2OS/c14-10-5-11(12(15)16-7-10)9-1-3-17-13(6-9)2-4-18-8-13/h5,7,9H,1-4,6,8H2,(H2,15,16)
InChIKeyVKVORBQNKMEMNY-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine (CID 79920215) is 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine is Nc1ncc(Cl)cc1C1CCOC2(CCSC2)C1.
What is the InChIKey of 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
The InChIKey is VKVORBQNKMEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-10-5-11(12(15)16-7-10)9-1-3-17-13(6-9)2-4-18-8-13/h5,7,9H,1-4,6,8H2,(H2,15,16).
What are the key properties of 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine?
5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine has a molecular weight of 284.81 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine is sourced from PubChem (CID 79920215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).