2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide

C12H15N3O4S — CID 8841275

IUPAC2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NNS(=O)(=O)Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C12H15N3O4S/c16-11(13-10-6-7-10)12(17)14-15-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,13,16)(H,14,17)
InChIKeyKBORBBTYDKZFTL-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.58
Rot. Bonds5

About 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide

2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide (PubChem CID 8841275) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide
PubChem CID8841275
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NNS(=O)(=O)Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C12H15N3O4S/c16-11(13-10-6-7-10)12(17)14-15-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,13,16)(H,14,17)
InChIKeyKBORBBTYDKZFTL-UHFFFAOYSA-N
XLogP-0.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_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 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide (CID 8841275) is 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide is O=C(NNS(=O)(=O)Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide?
The InChIKey is KBORBBTYDKZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c16-11(13-10-6-7-10)12(17)14-15-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,13,16)(H,14,17).
What are the key properties of 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide?
2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide has a molecular weight of 297.34 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 8841275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).