N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide

C8H8N4O2S — CID 163271055

IUPACN-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)C2CC2)ncn1
InChIInChI=1S/C8H8N4O2S/c9-4-6-3-8(11-5-10-6)12-15(13,14)7-1-2-7/h3,5,7H,1-2H2,(H,10,11,12)
InChIKeyVDIKLCRIZFTAFK-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.25
Rot. Bonds3

About N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide

N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide (PubChem CID 163271055) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide
PubChem CID163271055
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC NameN-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)C2CC2)ncn1
InChIInChI=1S/C8H8N4O2S/c9-4-6-3-8(11-5-10-6)12-15(13,14)7-1-2-7/h3,5,7H,1-2H2,(H,10,11,12)
InChIKeyVDIKLCRIZFTAFK-UHFFFAOYSA-N
XLogP0.25
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide?
The IUPAC name of N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide (CID 163271055) is N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide is N#Cc1cc(NS(=O)(=O)C2CC2)ncn1.
What is the InChIKey of N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide?
The InChIKey is VDIKLCRIZFTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-4-6-3-8(11-5-10-6)12-15(13,14)7-1-2-7/h3,5,7H,1-2H2,(H,10,11,12).
What are the key properties of N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide?
N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide has a molecular weight of 224.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyanopyrimidin-4-yl)cyclopropanesulfonamide is sourced from PubChem (CID 163271055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).