1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile

C11H16N4O2S — CID 79373816

IUPAC1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C#N)C2)c1
InChIInChI=1S/C11H16N4O2S/c1-2-14-8-11(13-9-14)18(16,17)15-5-3-4-10(6-12)7-15/h8-10H,2-5,7H2,1H3
InChIKeyDTQOPYDOMGMDSV-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.83
Rot. Bonds3

About 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile

1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile (PubChem CID 79373816) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
PubChem CID79373816
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C#N)C2)c1
InChIInChI=1S/C11H16N4O2S/c1-2-14-8-11(13-9-14)18(16,17)15-5-3-4-10(6-12)7-15/h8-10H,2-5,7H2,1H3
InChIKeyDTQOPYDOMGMDSV-UHFFFAOYSA-N
XLogP0.83
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
CID 79369669
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 114802284
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
CID 79372688
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990351
5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917728
[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 92750491

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile (CID 79373816) is 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile is CCn1cnc(S(=O)(=O)N2CCCC(C#N)C2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile?
The InChIKey is DTQOPYDOMGMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-14-8-11(13-9-14)18(16,17)15-5-3-4-10(6-12)7-15/h8-10H,2-5,7H2,1H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile?
1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile has a molecular weight of 268.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile is sourced from PubChem (CID 79373816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).