3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide

C10H16N4O3S — CID 167184674

IUPAC3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide
SMILESCNNc1ccc(S(=O)(=O)NC(=O)CCN)cc1
InChIInChI=1S/C10H16N4O3S/c1-12-13-8-2-4-9(5-3-8)18(16,17)14-10(15)6-7-11/h2-5,12-13H,6-7,11H2,1H3,(H,14,15)
InChIKeyDZPBDARNBKPIJQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.61
Rot. Bonds6

About 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide

3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide (PubChem CID 167184674) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide
PubChem CID167184674
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide
SMILESCNNc1ccc(S(=O)(=O)NC(=O)CCN)cc1
InChIInChI=1S/C10H16N4O3S/c1-12-13-8-2-4-9(5-3-8)18(16,17)14-10(15)6-7-11/h2-5,12-13H,6-7,11H2,1H3,(H,14,15)
InChIKeyDZPBDARNBKPIJQ-UHFFFAOYSA-N
XLogP-0.61
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide?
The IUPAC name of 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide (CID 167184674) is 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide is CNNc1ccc(S(=O)(=O)NC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide?
The InChIKey is DZPBDARNBKPIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-12-13-8-2-4-9(5-3-8)18(16,17)14-10(15)6-7-11/h2-5,12-13H,6-7,11H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide?
3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide has a molecular weight of 272.33 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methylhydrazinyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 167184674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).