5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile

C12H16N2O2S2 — CID 114166105

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C12H16N2O2S2/c1-9-5-10(2)8-14(7-9)18(15,16)12-4-3-11(6-13)17-12/h3-4,9-10H,5,7-8H2,1-2H3
InChIKeyFBYTWGNKNALNQU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.29
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile

5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile (PubChem CID 114166105) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
PubChem CID114166105
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C12H16N2O2S2/c1-9-5-10(2)8-14(7-9)18(15,16)12-4-3-11(6-13)17-12/h3-4,9-10H,5,7-8H2,1-2H3
InChIKeyFBYTWGNKNALNQU-UHFFFAOYSA-N
XLogP2.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
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
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079
5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272217
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile
CID 106268220
5-(3-isocyanatopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166766
5-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]thiophene-2-carbonitrile
CID 106272768
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 106265376

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile (CID 114166105) is 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile is CC1CC(C)CN(S(=O)(=O)c2ccc(C#N)s2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The InChIKey is FBYTWGNKNALNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-9-5-10(2)8-14(7-9)18(15,16)12-4-3-11(6-13)17-12/h3-4,9-10H,5,7-8H2,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 114166105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).