4-(5-isothiocyanato-2-pyridinyl)morpholine

C10H11N3OS — CID 2776464

IUPAC4-(5-isothiocyanato-2-pyridinyl)morpholine
SMILESS=C=Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C10H11N3OS/c15-8-12-9-1-2-10(11-7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChIKeyVLZWMPRZGPULIU-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.65
Rot. Bonds2

About 4-(5-isothiocyanato-2-pyridinyl)morpholine

4-(5-isothiocyanato-2-pyridinyl)morpholine (PubChem CID 2776464) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(5-isothiocyanato-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(5-isothiocyanato-2-pyridinyl)morpholine
PubChem CID2776464
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name4-(5-isothiocyanato-2-pyridinyl)morpholine
SMILESS=C=Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C10H11N3OS/c15-8-12-9-1-2-10(11-7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChIKeyVLZWMPRZGPULIU-UHFFFAOYSA-N
XLogP1.65
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(5-isothiocyanato-2-pyridinyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-morpholin-4-ylpyridine-3-thiol
CID 123169519
4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744084
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
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943

Frequently Asked Questions

What is the IUPAC name of 4-(5-isothiocyanato-2-pyridinyl)morpholine?
The IUPAC name of 4-(5-isothiocyanato-2-pyridinyl)morpholine (CID 2776464) is 4-(5-isothiocyanato-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(5-isothiocyanato-2-pyridinyl)morpholine?
The canonical SMILES for 4-(5-isothiocyanato-2-pyridinyl)morpholine is S=C=Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-(5-isothiocyanato-2-pyridinyl)morpholine?
The InChIKey is VLZWMPRZGPULIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c15-8-12-9-1-2-10(11-7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2.
What are the key properties of 4-(5-isothiocyanato-2-pyridinyl)morpholine?
4-(5-isothiocyanato-2-pyridinyl)morpholine has a molecular weight of 221.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-isothiocyanato-2-pyridinyl)morpholine is sourced from PubChem (CID 2776464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).