1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile

C11H13N3O2S — CID 162100523

IUPAC1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1N
InChIInChI=1S/C11H13N3O2S/c1-2-17(15,16)9-5-8(6-14-10(9)13)11(7-12)3-4-11/h5-6H,2-4H2,1H3,(H2,13,14)
InChIKeyZEUYYSPELILSDB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.01
Rot. Bonds3

About 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile

1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 162100523) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID162100523
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1N
InChIInChI=1S/C11H13N3O2S/c1-2-17(15,16)9-5-8(6-14-10(9)13)11(7-12)3-4-11/h5-6H,2-4H2,1H3,(H2,13,14)
InChIKeyZEUYYSPELILSDB-UHFFFAOYSA-N
XLogP1.01
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile (CID 162100523) is 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile is CCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1N.
What is the InChIKey of 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is ZEUYYSPELILSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-17(15,16)9-5-8(6-14-10(9)13)11(7-12)3-4-11/h5-6H,2-4H2,1H3,(H2,13,14).
What are the key properties of 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile?
1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 162100523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).