(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone

C12H18N4OS — CID 105072517

IUPAC(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
SMILESCC1SCCN(C(=O)c2ccncc2NN)C1C
InChIInChI=1S/C12H18N4OS/c1-8-9(2)18-6-5-16(8)12(17)10-3-4-14-7-11(10)15-13/h3-4,7-9,15H,5-6,13H2,1-2H3
InChIKeyBMYLXIMYGQYBCQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.33
Rot. Bonds2

About (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone

(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone (PubChem CID 105072517) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
PubChem CID105072517
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
SMILESCC1SCCN(C(=O)c2ccncc2NN)C1C
InChIInChI=1S/C12H18N4OS/c1-8-9(2)18-6-5-16(8)12(17)10-3-4-14-7-11(10)15-13/h3-4,7-9,15H,5-6,13H2,1-2H3
InChIKeyBMYLXIMYGQYBCQ-UHFFFAOYSA-N
XLogP1.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone (CID 105072517) is (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone is CC1SCCN(C(=O)c2ccncc2NN)C1C.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is BMYLXIMYGQYBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-9(2)18-6-5-16(8)12(17)10-3-4-14-7-11(10)15-13/h3-4,7-9,15H,5-6,13H2,1-2H3.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone?
(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 105072517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).