(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone

C12H18N4O3S2 — CID 66377589

IUPAC(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cccc(NN)n1
InChIInChI=1S/C12H18N4O3S2/c1-2-21(18,19)11-8-20-7-6-16(11)12(17)9-4-3-5-10(14-9)15-13/h3-5,11H,2,6-8,13H2,1H3,(H,14,15)
InChIKeyDGWLQINJQFCFFS-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.32
Rot. Bonds4

About (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone

(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone (PubChem CID 66377589) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
PubChem CID66377589
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cccc(NN)n1
InChIInChI=1S/C12H18N4O3S2/c1-2-21(18,19)11-8-20-7-6-16(11)12(17)9-4-3-5-10(14-9)15-13/h3-5,11H,2,6-8,13H2,1H3,(H,14,15)
InChIKeyDGWLQINJQFCFFS-UHFFFAOYSA-N
XLogP0.32
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
CID 66376989
(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
CID 66375654
(3-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952634
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
(2-ethylpiperidin-1-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62242086
(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 81245914
[3-(chloromethyl)phenyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376942
(2-amino-6-chloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376811
(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66384069
(3-ethylmorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62236149
2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 66378129

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone (CID 66377589) is (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1cccc(NN)n1.
What is the InChIKey of (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is DGWLQINJQFCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-2-21(18,19)11-8-20-7-6-16(11)12(17)9-4-3-5-10(14-9)15-13/h3-5,11H,2,6-8,13H2,1H3,(H,14,15).
What are the key properties of (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone?
(3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 330.44 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylthiomorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 66377589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).