2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide

C9H19N3O3S2 — CID 66377938

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
SMILESCCS(=O)(=O)C1CSCCN1C(C)C(=O)NN
InChIInChI=1S/C9H19N3O3S2/c1-3-17(14,15)8-6-16-5-4-12(8)7(2)9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyIXWVRMZBVILXAQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.83
Rot. Bonds4

About 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide

2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide (PubChem CID 66377938) has the molecular formula C9H19N3O3S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
PubChem CID66377938
Molecular FormulaC9H19N3O3S2
Molecular Weight281.40 g/mol
Exact Mass281.09
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
SMILESCCS(=O)(=O)C1CSCCN1C(C)C(=O)NN
InChIInChI=1S/C9H19N3O3S2/c1-3-17(14,15)8-6-16-5-4-12(8)7(2)9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyIXWVRMZBVILXAQ-UHFFFAOYSA-N
XLogP-0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66378086
2-(3-ethylsulfonylthiomorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
CID 66381961
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
2-(3-ethylsulfonylthiomorpholin-4-yl)butanethioamide
CID 66384091
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66375986
4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
CID 66381881
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
(2S)-2-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylpentan-1-one
CID 66377946

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide (CID 66377938) is 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide is CCS(=O)(=O)C1CSCCN1C(C)C(=O)NN.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide?
The InChIKey is IXWVRMZBVILXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S2/c1-3-17(14,15)8-6-16-5-4-12(8)7(2)9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide?
2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide has a molecular weight of 281.40 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide is sourced from PubChem (CID 66377938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).