5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile

C14H18N2O2S2 — CID 106267960

IUPAC5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCC2C2CCCC2)s1
InChIInChI=1S/C14H18N2O2S2/c15-10-12-7-8-14(19-12)20(17,18)16-9-3-6-13(16)11-4-1-2-5-11/h7-8,11,13H,1-6,9H2
InChIKeyCJXDBGCHACTYKQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.96
Rot. Bonds3

About 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile

5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile (PubChem CID 106267960) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
PubChem CID106267960
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCC2C2CCCC2)s1
InChIInChI=1S/C14H18N2O2S2/c15-10-12-7-8-14(19-12)20(17,18)16-9-3-6-13(16)11-4-1-2-5-11/h7-8,11,13H,1-6,9H2
InChIKeyCJXDBGCHACTYKQ-UHFFFAOYSA-N
XLogP2.96
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
CID 114166904
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
(4aR,8aS)-1-(5-nitrothiophen-2-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 95049249
5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
5-(3-isocyanatopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166766
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
5-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carbonitrile
CID 106265076

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile (CID 106267960) is 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCCC2C2CCCC2)s1.
What is the InChIKey of 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile?
The InChIKey is CJXDBGCHACTYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c15-10-12-7-8-14(19-12)20(17,18)16-9-3-6-13(16)11-4-1-2-5-11/h7-8,11,13H,1-6,9H2.
What are the key properties of 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile?
5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile has a molecular weight of 310.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106267960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).