5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile

C14H19N3O2S2 — CID 106272816

IUPAC5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCC2C2CCCN2)s1
InChIInChI=1S/C14H19N3O2S2/c15-10-11-6-7-14(20-11)21(18,19)17-9-2-1-5-13(17)12-4-3-8-16-12/h6-7,12-13,16H,1-5,8-9H2
InChIKeyOQCFVMGCGRPGOW-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.91
Rot. Bonds3

About 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile

5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile (PubChem CID 106272816) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
PubChem CID106272816
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCC2C2CCCN2)s1
InChIInChI=1S/C14H19N3O2S2/c15-10-11-6-7-14(20-11)21(18,19)17-9-2-1-5-13(17)12-4-3-8-16-12/h6-7,12-13,16H,1-5,8-9H2
InChIKeyOQCFVMGCGRPGOW-UHFFFAOYSA-N
XLogP1.91
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
CID 114166904
1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
CID 106272927
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256423
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 103100390
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
5-(1,4-diazepan-1-ylsulfonyl)thiophene-2-carbonitrile
CID 106265076
1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275261
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
N,N-dimethyl-2-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 63256640

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile (CID 106272816) is 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCCCC2C2CCCN2)s1.
What is the InChIKey of 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
The InChIKey is OQCFVMGCGRPGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c15-10-11-6-7-14(20-11)21(18,19)17-9-2-1-5-13(17)12-4-3-8-16-12/h6-7,12-13,16H,1-5,8-9H2.
What are the key properties of 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile?
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile has a molecular weight of 325.46 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106272816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).