3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine

C11H16N4O2S — CID 113234717

IUPAC3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCN1CCSCC1
InChIInChI=1S/C11H16N4O2S/c16-15(17)11-9-12-2-1-10(11)13-3-4-14-5-7-18-8-6-14/h1-2,9H,3-8H2,(H,12,13)
InChIKeyIFPRPAPCFZXESA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.45
Rot. Bonds5

About 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine

3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine (PubChem CID 113234717) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
PubChem CID113234717
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCN1CCSCC1
InChIInChI=1S/C11H16N4O2S/c16-15(17)11-9-12-2-1-10(11)13-3-4-14-5-7-18-8-6-14/h1-2,9H,3-8H2,(H,12,13)
InChIKeyIFPRPAPCFZXESA-UHFFFAOYSA-N
XLogP1.45
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
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 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine?
The IUPAC name of 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine (CID 113234717) is 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine is O=[N+]([O-])c1cnccc1NCCN1CCSCC1.
What is the InChIKey of 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine?
The InChIKey is IFPRPAPCFZXESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c16-15(17)11-9-12-2-1-10(11)13-3-4-14-5-7-18-8-6-14/h1-2,9H,3-8H2,(H,12,13).
What are the key properties of 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine?
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine has a molecular weight of 268.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine is sourced from PubChem (CID 113234717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).