1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile

C11H11N3O2S2 — CID 114166079

IUPAC1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCC(C#N)C2)s1
InChIInChI=1S/C11H11N3O2S2/c12-6-9-2-1-5-14(8-9)18(15,16)11-4-3-10(7-13)17-11/h3-4,9H,1-2,5,8H2
InChIKeyHIHFEEGCFIANDK-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.54
Rot. Bonds2

About 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile

1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile (PubChem CID 114166079) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
PubChem CID114166079
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCC(C#N)C2)s1
InChIInChI=1S/C11H11N3O2S2/c12-6-9-2-1-5-14(8-9)18(15,16)11-4-3-10(7-13)17-11/h3-4,9H,1-2,5,8H2
InChIKeyHIHFEEGCFIANDK-UHFFFAOYSA-N
XLogP1.54
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-isocyanatopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166766
5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
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
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
CID 114166904
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272217
4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365293
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile?
The IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile (CID 114166079) is 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile?
The canonical SMILES for 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCCC(C#N)C2)s1.
What is the InChIKey of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile?
The InChIKey is HIHFEEGCFIANDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c12-6-9-2-1-5-14(8-9)18(15,16)11-4-3-10(7-13)17-11/h3-4,9H,1-2,5,8H2.
What are the key properties of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile?
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile is sourced from PubChem (CID 114166079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).