4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine

C10H13N3O2S — CID 142614299

IUPAC4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
SMILESCc1cnc(N2CCSCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O2S/c1-8-6-9(13(14)15)10(11-7-8)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyWNGOHSLIZYBAPO-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.85
Rot. Bonds2

About 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine

4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine (PubChem CID 142614299) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine.

Molecular Properties

Compound Name4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
PubChem CID142614299
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
SMILESCc1cnc(N2CCSCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O2S/c1-8-6-9(13(14)15)10(11-7-8)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyWNGOHSLIZYBAPO-UHFFFAOYSA-N
XLogP1.85
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine?
The IUPAC name of 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine (CID 142614299) is 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine.
What is the SMILES notation for 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine?
The canonical SMILES for 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine is Cc1cnc(N2CCSCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine?
The InChIKey is WNGOHSLIZYBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-8-6-9(13(14)15)10(11-7-8)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine?
4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine has a molecular weight of 239.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine is sourced from PubChem (CID 142614299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).