N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide

C12H16N4O2S — CID 62158783

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(CCC#N)C2CC2)ccn1
InChIInChI=1S/C12H16N4O2S/c1-14-12-9-11(5-7-15-12)19(17,18)16(8-2-6-13)10-3-4-10/h5,7,9-10H,2-4,8H2,1H3,(H,14,15)
InChIKeyHLCPDFJZTVHGKQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.19
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62158783) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62158783
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(CCC#N)C2CC2)ccn1
InChIInChI=1S/C12H16N4O2S/c1-14-12-9-11(5-7-15-12)19(17,18)16(8-2-6-13)10-3-4-10/h5,7,9-10H,2-4,8H2,1H3,(H,14,15)
InChIKeyHLCPDFJZTVHGKQ-UHFFFAOYSA-N
XLogP1.19
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide (CID 62158783) is N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)N(CCC#N)C2CC2)ccn1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is HLCPDFJZTVHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-14-12-9-11(5-7-15-12)19(17,18)16(8-2-6-13)10-3-4-10/h5,7,9-10H,2-4,8H2,1H3,(H,14,15).
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62158783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).