N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide

C18H23N5O2S2 — CID 25119215

IUPACN-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CCCNC4)cc23)s1
InChIInChI=1S/C18H23N5O2S2/c19-6-9-22-27(24,25)17-4-3-16(26-17)13-5-8-21-18-14(13)10-15(23-18)12-2-1-7-20-11-12/h3-5,8,10,12,20,22H,1-2,6-7,9,11,19H2,(H,21,23)
InChIKeyADNJYWWIGRZNHG-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.00
Rot. Bonds6

About N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide

N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide (PubChem CID 25119215) has the molecular formula C18H23N5O2S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
PubChem CID25119215
Molecular FormulaC18H23N5O2S2
Molecular Weight405.55 g/mol
Exact Mass405.13
IUPAC NameN-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CCCNC4)cc23)s1
InChIInChI=1S/C18H23N5O2S2/c19-6-9-22-27(24,25)17-4-3-16(26-17)13-5-8-21-18-14(13)10-15(23-18)12-2-1-7-20-11-12/h3-5,8,10,12,20,22H,1-2,6-7,9,11,19H2,(H,21,23)
InChIKeyADNJYWWIGRZNHG-UHFFFAOYSA-N
XLogP2.00
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide (CID 25119215) is N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide is NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CCCNC4)cc23)s1.
What is the InChIKey of N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
The InChIKey is ADNJYWWIGRZNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S2/c19-6-9-22-27(24,25)17-4-3-16(26-17)13-5-8-21-18-14(13)10-15(23-18)12-2-1-7-20-11-12/h3-5,8,10,12,20,22H,1-2,6-7,9,11,19H2,(H,21,23).
What are the key properties of N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide has a molecular weight of 405.55 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 25119215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).