3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide

C9H9N5O2S — CID 103303071

IUPAC3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C9H9N5O2S/c10-3-6-14(7-4-11)17(15,16)9-8(12)2-1-5-13-9/h1-2,5H,6-7,12H2
InChIKeyVTRBUVLZFPZEIH-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.30
Rot. Bonds4

About 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide

3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide (PubChem CID 103303071) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide
PubChem CID103303071
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C9H9N5O2S/c10-3-6-14(7-4-11)17(15,16)9-8(12)2-1-5-13-9/h1-2,5H,6-7,12H2
InChIKeyVTRBUVLZFPZEIH-UHFFFAOYSA-N
XLogP-0.30
TPSA123.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide (CID 103303071) is 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide is N#CCN(CC#N)S(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide?
The InChIKey is VTRBUVLZFPZEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c10-3-6-14(7-4-11)17(15,16)9-8(12)2-1-5-13-9/h1-2,5H,6-7,12H2.
What are the key properties of 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide?
3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide has a molecular weight of 251.27 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103303071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).