5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile

C11H14N2O2S2 — CID 106266846

IUPAC5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C11H14N2O2S2/c1-9-4-6-13(7-5-9)17(14,15)11-3-2-10(8-12)16-11/h2-3,9H,4-7H2,1H3
InChIKeyOOZXCSZYWKDXEV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds2

About 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile

5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile (PubChem CID 106266846) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
PubChem CID106266846
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C11H14N2O2S2/c1-9-4-6-13(7-5-9)17(14,15)11-3-2-10(8-12)16-11/h2-3,9H,4-7H2,1H3
InChIKeyOOZXCSZYWKDXEV-UHFFFAOYSA-N
XLogP2.04
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophene-2-carbonitrile
CID 114166299
5-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carbonitrile
CID 106265076
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
5-(3-isocyanatopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166766
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272217
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile (CID 106266846) is 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile is CC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The InChIKey is OOZXCSZYWKDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-9-4-6-13(7-5-9)17(14,15)11-3-2-10(8-12)16-11/h2-3,9H,4-7H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106266846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).