1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine

C11H19N5O2S — CID 63541851

IUPAC1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cccnc2NN)C1
InChIInChI=1S/C11H19N5O2S/c1-15(2)9-5-7-16(8-9)19(17,18)10-4-3-6-13-11(10)14-12/h3-4,6,9H,5,7-8,12H2,1-2H3,(H,13,14)
InChIKeyBMGWEMGZWABFHS-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.31
Rot. Bonds4

About 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine

1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63541851) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63541851
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cccnc2NN)C1
InChIInChI=1S/C11H19N5O2S/c1-15(2)9-5-7-16(8-9)19(17,18)10-4-3-6-13-11(10)14-12/h3-4,6,9H,5,7-8,12H2,1-2H3,(H,13,14)
InChIKeyBMGWEMGZWABFHS-UHFFFAOYSA-N
XLogP-0.31
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine (CID 63541851) is 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(S(=O)(=O)c2cccnc2NN)C1.
What is the InChIKey of 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BMGWEMGZWABFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-15(2)9-5-7-16(8-9)19(17,18)10-4-3-6-13-11(10)14-12/h3-4,6,9H,5,7-8,12H2,1-2H3,(H,13,14).
What are the key properties of 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 285.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63541851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).