1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile

C9H8N2O2S — CID 116855148

IUPAC1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccccn2)CC1
InChIInChI=1S/C9H8N2O2S/c10-7-9(4-5-9)14(12,13)8-3-1-2-6-11-8/h1-3,6H,4-5H2
InChIKeyIECWRHOXBSTYOT-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.91
Rot. Bonds2

About 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile

1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile (PubChem CID 116855148) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile
PubChem CID116855148
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccccn2)CC1
InChIInChI=1S/C9H8N2O2S/c10-7-9(4-5-9)14(12,13)8-3-1-2-6-11-8/h1-3,6H,4-5H2
InChIKeyIECWRHOXBSTYOT-UHFFFAOYSA-N
XLogP0.91
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile (CID 116855148) is 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile is N#CC1(S(=O)(=O)c2ccccn2)CC1.
What is the InChIKey of 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile?
The InChIKey is IECWRHOXBSTYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-7-9(4-5-9)14(12,13)8-3-1-2-6-11-8/h1-3,6H,4-5H2.
What are the key properties of 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile?
1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile has a molecular weight of 208.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116855148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).