2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium

C14H17N4O2S2+ — CID 78225346

IUPAC2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NCC[NH3+])s3)ccnc2[nH]1
InChIInChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)/p+1
InChIKeyAETIDEIXYCAWOW-UHFFFAOYSA-O
MW337.45 g/mol
LogP1.12
Rot. Bonds5

About 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium

2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium (PubChem CID 78225346) has the molecular formula C14H17N4O2S2+ and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium.

Molecular Properties

Compound Name2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium
PubChem CID78225346
Molecular FormulaC14H17N4O2S2+
Molecular Weight337.45 g/mol
Exact Mass337.08
IUPAC Name2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NCC[NH3+])s3)ccnc2[nH]1
InChIInChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)/p+1
InChIKeyAETIDEIXYCAWOW-UHFFFAOYSA-O
XLogP1.12
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium?
The IUPAC name of 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium (CID 78225346) is 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium.
What is the SMILES notation for 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium?
The canonical SMILES for 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium is Cc1cc2c(-c3ccc(S(=O)(=O)NCC[NH3+])s3)ccnc2[nH]1.
What is the InChIKey of 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium?
The InChIKey is AETIDEIXYCAWOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)/p+1.
What are the key properties of 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium?
2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium has a molecular weight of 337.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]sulfonylamino]ethylazanium is sourced from PubChem (CID 78225346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).