N-cyanocyclopropanesulfonamide

C4H6N2O2S — CID 87630538

IUPACN-cyanocyclopropanesulfonamide
SMILESN#CNS(=O)(=O)C1CC1
InChIInChI=1S/C4H6N2O2S/c5-3-6-9(7,8)4-1-2-4/h4,6H,1-2H2
InChIKeyMWJOQIAPLCEJBB-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.45
Rot. Bonds2

About N-cyanocyclopropanesulfonamide

N-cyanocyclopropanesulfonamide (PubChem CID 87630538) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is N-cyanocyclopropanesulfonamide.

Molecular Properties

Compound NameN-cyanocyclopropanesulfonamide
PubChem CID87630538
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC NameN-cyanocyclopropanesulfonamide
SMILESN#CNS(=O)(=O)C1CC1
InChIInChI=1S/C4H6N2O2S/c5-3-6-9(7,8)4-1-2-4/h4,6H,1-2H2
InChIKeyMWJOQIAPLCEJBB-UHFFFAOYSA-N
XLogP-0.45
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyanocyclopropanesulfonamide?
The IUPAC name of N-cyanocyclopropanesulfonamide (CID 87630538) is N-cyanocyclopropanesulfonamide.
What is the SMILES notation for N-cyanocyclopropanesulfonamide?
The canonical SMILES for N-cyanocyclopropanesulfonamide is N#CNS(=O)(=O)C1CC1.
What is the InChIKey of N-cyanocyclopropanesulfonamide?
The InChIKey is MWJOQIAPLCEJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-3-6-9(7,8)4-1-2-4/h4,6H,1-2H2.
What are the key properties of N-cyanocyclopropanesulfonamide?
N-cyanocyclopropanesulfonamide has a molecular weight of 146.17 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanocyclopropanesulfonamide is sourced from PubChem (CID 87630538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).