N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide

C11H14N4O2S — CID 115752512

IUPACN-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC(CN)C2CC2)cn1
InChIInChI=1S/C11H14N4O2S/c12-5-9-3-4-10(7-14-9)18(16,17)15-11(6-13)8-1-2-8/h3-4,7-8,11,15H,1-2,6,13H2
InChIKeyRZWUYPPJBQXQKQ-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.03
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide

N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 115752512) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
PubChem CID115752512
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC(CN)C2CC2)cn1
InChIInChI=1S/C11H14N4O2S/c12-5-9-3-4-10(7-14-9)18(16,17)15-11(6-13)8-1-2-8/h3-4,7-8,11,15H,1-2,6,13H2
InChIKeyRZWUYPPJBQXQKQ-UHFFFAOYSA-N
XLogP-0.03
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide (CID 115752512) is N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC(CN)C2CC2)cn1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is RZWUYPPJBQXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-5-9-3-4-10(7-14-9)18(16,17)15-11(6-13)8-1-2-8/h3-4,7-8,11,15H,1-2,6,13H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 115752512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).