cyclopropanecarbonitrile;sulfonylazanide

C4H5N2O2S- — CID 170991615

IUPACcyclopropanecarbonitrile;sulfonylazanide
SMILESN#CC1CC1.[N-]=S(=O)=O
InChIInChI=1S/C4H5N.NO2S/c5-3-4-1-2-4;1-4(2)3/h4H,1-2H2;/q;-1
InChIKeyKAQBEVXRLHAMBQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.54
Rot. Bonds

About cyclopropanecarbonitrile;sulfonylazanide

cyclopropanecarbonitrile;sulfonylazanide (PubChem CID 170991615) has the molecular formula C4H5N2O2S- and a molecular weight of 145.16 g/mol. Its IUPAC name is cyclopropanecarbonitrile;sulfonylazanide.

Molecular Properties

Compound Namecyclopropanecarbonitrile;sulfonylazanide
PubChem CID170991615
Molecular FormulaC4H5N2O2S-
Molecular Weight145.16 g/mol
Exact Mass145.01
IUPAC Namecyclopropanecarbonitrile;sulfonylazanide
SMILESN#CC1CC1.[N-]=S(=O)=O
InChIInChI=1S/C4H5N.NO2S/c5-3-4-1-2-4;1-4(2)3/h4H,1-2H2;/q;-1
InChIKeyKAQBEVXRLHAMBQ-UHFFFAOYSA-N
XLogP0.54
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonitrile;sulfonylazanide?
The IUPAC name of cyclopropanecarbonitrile;sulfonylazanide (CID 170991615) is cyclopropanecarbonitrile;sulfonylazanide.
What is the SMILES notation for cyclopropanecarbonitrile;sulfonylazanide?
The canonical SMILES for cyclopropanecarbonitrile;sulfonylazanide is N#CC1CC1.[N-]=S(=O)=O.
What is the InChIKey of cyclopropanecarbonitrile;sulfonylazanide?
The InChIKey is KAQBEVXRLHAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.NO2S/c5-3-4-1-2-4;1-4(2)3/h4H,1-2H2;/q;-1.
What are the key properties of cyclopropanecarbonitrile;sulfonylazanide?
cyclopropanecarbonitrile;sulfonylazanide has a molecular weight of 145.16 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonitrile;sulfonylazanide is sourced from PubChem (CID 170991615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).