4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine

C14H15N3O3S — CID 133363579

IUPAC4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine
SMILESCc1ccnc(N2CCOC(c3cccs3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3S/c1-10-4-5-15-14(13(10)17(18)19)16-6-7-20-11(9-16)12-3-2-8-21-12/h2-5,8,11H,6-7,9H2,1H3
InChIKeyRADFQOJHUYALCB-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine

4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine (PubChem CID 133363579) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine
PubChem CID133363579
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine
SMILESCc1ccnc(N2CCOC(c3cccs3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3S/c1-10-4-5-15-14(13(10)17(18)19)16-6-7-20-11(9-16)12-3-2-8-21-12/h2-5,8,11H,6-7,9H2,1H3
InChIKeyRADFQOJHUYALCB-UHFFFAOYSA-N
XLogP2.94
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.94
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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Related Compounds

4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363741
4-(2,4-dinitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363496
4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylmorpholine
CID 133363538
4-thieno[2,3-d]pyrimidin-4-yl-2-thiophen-2-ylmorpholine
CID 133363726
4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363720
4-[2-(methoxymethyl)-4-nitrophenyl]-2-thiophen-2-ylmorpholine
CID 133363702
4-[4-nitro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylmorpholine
CID 133363573
3-nitro-4-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile
CID 133363654
2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 133363523
4-methyl-3-nitro-2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyridine
CID 125424049
1-(4-methyl-3-nitro-2-pyridinyl)-3-methylsulfanylazepane
CID 133394967
4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
CID 133363707

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine (CID 133363579) is 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine is Cc1ccnc(N2CCOC(c3cccs3)C2)c1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine?
The InChIKey is RADFQOJHUYALCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-4-5-15-14(13(10)17(18)19)16-6-7-20-11(9-16)12-3-2-8-21-12/h2-5,8,11H,6-7,9H2,1H3.
What are the key properties of 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine?
4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine has a molecular weight of 305.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-nitro-2-pyridinyl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).