5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile

C12H14N2O3S2 — CID 106272217

IUPAC5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESCCC1CN(S(=O)(=O)c2ccc(C#N)s2)CCC1=O
InChIInChI=1S/C12H14N2O3S2/c1-2-9-8-14(6-5-11(9)15)19(16,17)12-4-3-10(7-13)18-12/h3-4,9H,2,5-6,8H2,1H3
InChIKeyPDIDFZXINPQSBM-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.61
Rot. Bonds3

About 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile

5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile (PubChem CID 106272217) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
PubChem CID106272217
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESCCC1CN(S(=O)(=O)c2ccc(C#N)s2)CCC1=O
InChIInChI=1S/C12H14N2O3S2/c1-2-9-8-14(6-5-11(9)15)19(16,17)12-4-3-10(7-13)18-12/h3-4,9H,2,5-6,8H2,1H3
InChIKeyPDIDFZXINPQSBM-UHFFFAOYSA-N
XLogP1.61
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-ethylpiperidin-4-one
CID 114508506
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079
5-(3-isocyanatopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166766
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophene-2-carbonitrile
CID 114166299
5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
(NE)-N-[1-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114509445
5-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carbonitrile
CID 106265076
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile (CID 106272217) is 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile is CCC1CN(S(=O)(=O)c2ccc(C#N)s2)CCC1=O.
What is the InChIKey of 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The InChIKey is PDIDFZXINPQSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-2-9-8-14(6-5-11(9)15)19(16,17)12-4-3-10(7-13)18-12/h3-4,9H,2,5-6,8H2,1H3.
What are the key properties of 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile has a molecular weight of 298.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106272217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).