1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

C11H12N2O4S2 — CID 114165885

IUPAC1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C11H12N2O4S2/c12-7-8-4-5-10(18-8)19(16,17)13-6-2-1-3-9(13)11(14)15/h4-5,9H,1-3,6H2,(H,14,15)
InChIKeyJARGDGGOVRXAAP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.25
Rot. Bonds3

About 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 114165885) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID114165885
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C11H12N2O4S2/c12-7-8-4-5-10(18-8)19(16,17)13-6-2-1-3-9(13)11(14)15/h4-5,9H,1-3,6H2,(H,14,15)
InChIKeyJARGDGGOVRXAAP-UHFFFAOYSA-N
XLogP1.25
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 106265376
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
CID 114166904
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 106267798
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 80578410
1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
CID 106272927
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (CID 114165885) is 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is N#Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)s1.
What is the InChIKey of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is JARGDGGOVRXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c12-7-8-4-5-10(18-8)19(16,17)13-6-2-1-3-9(13)11(14)15/h4-5,9H,1-3,6H2,(H,14,15).
What are the key properties of 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114165885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).