3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide

C13H19N3O4S — CID 2380270

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide
SMILESNNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O4S/c14-15-13(17)6-3-11-1-4-12(5-2-11)21(18,19)16-7-9-20-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17)
InChIKeyPMVFBHGLLLDCPU-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.37
Rot. Bonds5

About 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide

3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide (PubChem CID 2380270) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide
PubChem CID2380270
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide
SMILESNNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O4S/c14-15-13(17)6-3-11-1-4-12(5-2-11)21(18,19)16-7-9-20-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17)
InChIKeyPMVFBHGLLLDCPU-UHFFFAOYSA-N
XLogP-0.37
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide (CID 2380270) is 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide is NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide?
The InChIKey is PMVFBHGLLLDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-15-13(17)6-3-11-1-4-12(5-2-11)21(18,19)16-7-9-20-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide?
3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide has a molecular weight of 313.38 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)propanehydrazide is sourced from PubChem (CID 2380270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).