6-morpholin-4-ylpyridine-3-thiol

C9H12N2OS — CID 123169519

IUPAC6-morpholin-4-ylpyridine-3-thiol
SMILESSc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C9H12N2OS/c13-8-1-2-9(10-7-8)11-3-5-12-6-4-11/h1-2,7,13H,3-6H2
InChIKeyZSRYOSKRDSUCEB-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.21
Rot. Bonds1

About 6-morpholin-4-ylpyridine-3-thiol

6-morpholin-4-ylpyridine-3-thiol (PubChem CID 123169519) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridine-3-thiol.

Molecular Properties

Compound Name6-morpholin-4-ylpyridine-3-thiol
PubChem CID123169519
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name6-morpholin-4-ylpyridine-3-thiol
SMILESSc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C9H12N2OS/c13-8-1-2-9(10-7-8)11-3-5-12-6-4-11/h1-2,7,13H,3-6H2
InChIKeyZSRYOSKRDSUCEB-UHFFFAOYSA-N
XLogP1.21
TPSA25.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-(5-isothiocyanato-2-pyridinyl)morpholine
CID 2776464
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridine-3-thiol?
The IUPAC name of 6-morpholin-4-ylpyridine-3-thiol (CID 123169519) is 6-morpholin-4-ylpyridine-3-thiol.
What is the SMILES notation for 6-morpholin-4-ylpyridine-3-thiol?
The canonical SMILES for 6-morpholin-4-ylpyridine-3-thiol is Sc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-ylpyridine-3-thiol?
The InChIKey is ZSRYOSKRDSUCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c13-8-1-2-9(10-7-8)11-3-5-12-6-4-11/h1-2,7,13H,3-6H2.
What are the key properties of 6-morpholin-4-ylpyridine-3-thiol?
6-morpholin-4-ylpyridine-3-thiol has a molecular weight of 196.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridine-3-thiol is sourced from PubChem (CID 123169519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).