3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile

C15H14N2O2S2 — CID 26947446

IUPAC3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C15H14N2O2S2/c16-11-12-4-1-5-13(10-12)21(18,19)17-8-2-6-14(17)15-7-3-9-20-15/h1,3-5,7,9-10,14H,2,6,8H2/t14-/m1/s1
InChIKeyDEPKKCSUDUOVPU-CQSZACIVSA-N
MW318.42 g/mol
LogP3.15
Rot. Bonds3

About 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile

3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile (PubChem CID 26947446) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile
PubChem CID26947446
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C15H14N2O2S2/c16-11-12-4-1-5-13(10-12)21(18,19)17-8-2-6-14(17)15-7-3-9-20-15/h1,3-5,7,9-10,14H,2,6,8H2/t14-/m1/s1
InChIKeyDEPKKCSUDUOVPU-CQSZACIVSA-N
XLogP3.15
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782
3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 17490293
1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 51883239
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
CID 134035739
3-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)sulfonyl]benzonitrile
CID 103195778
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
3-methyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 61125963
3-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzonitrile
CID 95768190

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile (CID 26947446) is 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile is N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c1.
What is the InChIKey of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
The InChIKey is DEPKKCSUDUOVPU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c16-11-12-4-1-5-13(10-12)21(18,19)17-8-2-6-14(17)15-7-3-9-20-15/h1,3-5,7,9-10,14H,2,6,8H2/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile?
3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile has a molecular weight of 318.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 26947446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).