1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile

C12H18N4O2S — CID 103990351

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile
SMILESCCn1cnc(S(=O)(=O)N2CCC(C)(C#N)CC2)c1
InChIInChI=1S/C12H18N4O2S/c1-3-15-8-11(14-10-15)19(17,18)16-6-4-12(2,9-13)5-7-16/h8,10H,3-7H2,1-2H3
InChIKeyQNYQJHIHMGYYPC-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.22
Rot. Bonds3

About 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile

1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile (PubChem CID 103990351) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile
PubChem CID103990351
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile
SMILESCCn1cnc(S(=O)(=O)N2CCC(C)(C#N)CC2)c1
InChIInChI=1S/C12H18N4O2S/c1-3-15-8-11(14-10-15)19(17,18)16-6-4-12(2,9-13)5-7-16/h8,10H,3-7H2,1-2H3
InChIKeyQNYQJHIHMGYYPC-UHFFFAOYSA-N
XLogP1.22
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 79373893
1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
CID 79373816
1-ethylsulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990296
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine
CID 79373309
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
1-(1-ethylimidazol-4-yl)sulfonyl-3-propylazetidin-3-amine
CID 79375583
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 79369875
3-ethyl-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79369133
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
CID 79372688
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile (CID 103990351) is 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile is CCn1cnc(S(=O)(=O)N2CCC(C)(C#N)CC2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile?
The InChIKey is QNYQJHIHMGYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-15-8-11(14-10-15)19(17,18)16-6-4-12(2,9-13)5-7-16/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile?
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-4-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 1.22, 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)sulfonyl-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103990351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).