4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine

C15H15N3O3S — CID 2919830

IUPAC4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1ccccn1
InChIInChI=1S/C15H15N3O3S/c19-18(20)13-5-4-12(17-7-9-21-10-8-17)11-14(13)22-15-3-1-2-6-16-15/h1-6,11H,7-10H2
InChIKeyIAYPCSTYXNZESK-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.98
Rot. Bonds4

About 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine

4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine (PubChem CID 2919830) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine
PubChem CID2919830
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1ccccn1
InChIInChI=1S/C15H15N3O3S/c19-18(20)13-5-4-12(17-7-9-21-10-8-17)11-14(13)22-15-3-1-2-6-16-15/h1-6,11H,7-10H2
InChIKeyIAYPCSTYXNZESK-UHFFFAOYSA-N
XLogP2.98
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine?
The IUPAC name of 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine (CID 2919830) is 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine.
What is the SMILES notation for 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine?
The canonical SMILES for 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1ccccn1.
What is the InChIKey of 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine?
The InChIKey is IAYPCSTYXNZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-18(20)13-5-4-12(17-7-9-21-10-8-17)11-14(13)22-15-3-1-2-6-16-15/h1-6,11H,7-10H2.
What are the key properties of 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine?
4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine has a molecular weight of 317.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)morpholine is sourced from PubChem (CID 2919830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).