N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide

C13H14N4O2S2 — CID 71581422

IUPACN-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2c[nH]c3ncccc23)s1
InChIInChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16)
InChIKeyODZMLPDPZFTGIU-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.53
Rot. Bonds5

About N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide

N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide (PubChem CID 71581422) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide
PubChem CID71581422
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2c[nH]c3ncccc23)s1
InChIInChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16)
InChIKeyODZMLPDPZFTGIU-UHFFFAOYSA-N
XLogP1.53
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide (CID 71581422) is N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide is NCCNS(=O)(=O)c1ccc(-c2c[nH]c3ncccc23)s1.
What is the InChIKey of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide?
The InChIKey is ODZMLPDPZFTGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16).
What are the key properties of N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide?
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide has a molecular weight of 322.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 71581422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).