5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile

C10H13N3O2S2 — CID 114166904

IUPAC5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCC2CN)s1
InChIInChI=1S/C10H13N3O2S2/c11-6-8-2-1-5-13(8)17(14,15)10-4-3-9(7-12)16-10/h3-4,8H,1-2,5-6,11H2
InChIKeyROUCKUGWUOTAEN-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.73
Rot. Bonds3

About 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile

5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile (PubChem CID 114166904) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
PubChem CID114166904
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCCC2CN)s1
InChIInChI=1S/C10H13N3O2S2/c11-6-8-2-1-5-13(8)17(14,15)10-4-3-9(7-12)16-10/h3-4,8H,1-2,5-6,11H2
InChIKeyROUCKUGWUOTAEN-UHFFFAOYSA-N
XLogP0.73
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106267960
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-3-carbonitrile
CID 114166079
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119988770
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988663
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile (CID 114166904) is 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCCC2CN)s1.
What is the InChIKey of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile?
The InChIKey is ROUCKUGWUOTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c11-6-8-2-1-5-13(8)17(14,15)10-4-3-9(7-12)16-10/h3-4,8H,1-2,5-6,11H2.
What are the key properties of 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile?
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile has a molecular weight of 271.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 114166904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).