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

C11H14N4O2S — CID 156641596

IUPAC1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1NN
InChIInChI=1S/C11H14N4O2S/c1-2-18(16,17)9-5-8(6-14-10(9)15-13)11(7-12)3-4-11/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyCNDHREPMAQUKEA-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.72
Rot. Bonds4

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

1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 156641596) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID156641596
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1NN
InChIInChI=1S/C11H14N4O2S/c1-2-18(16,17)9-5-8(6-14-10(9)15-13)11(7-12)3-4-11/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyCNDHREPMAQUKEA-UHFFFAOYSA-N
XLogP0.72
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 162100523
ethyl 6-[[[5-(1-cyanocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]amino]methyl]-2,2-difluoro-1,3-benzodioxole-5-carboxylate
CID 162746339
1-[6-(2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-e]benzimidazol-6-yl)-5-ethylsulfonyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 177255594
N-[2-[5-(1-cyanocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 175370853
1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 172625573
1-(6-chloro-5-ethylsulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 146231680
1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile
CID 152893427
1-[5-ethylsulfonyl-6-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 156895196
carbon dioxide;1-(2-ethyl-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl)cyclopropane-1-carbonitrile
CID 159417840
1-[3-ethylsulfonyl-2-[5-oxo-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 165147730
1-[4-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]phenyl]cyclopropane-1-carbonitrile
CID 167506917
1-[5-ethylsulfanyl-6-[2-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]acetyl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 147211244

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile (CID 156641596) is 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile is CCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1NN.
What is the InChIKey of 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is CNDHREPMAQUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-18(16,17)9-5-8(6-14-10(9)15-13)11(7-12)3-4-11/h5-6H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile?
1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfonyl-6-hydrazinyl-3-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 156641596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).