N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide

C15H19N3O3S2 — CID 3239525

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1
InChIInChI=1S/C15H19N3O3S2/c19-23(20,15-4-2-10-22-15)17-12-14(13-3-1-5-16-11-13)18-6-8-21-9-7-18/h1-5,10-11,14,17H,6-9,12H2
InChIKeyQBZLAEIWECZKME-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.49
Rot. Bonds6

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide (PubChem CID 3239525) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide
PubChem CID3239525
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1
InChIInChI=1S/C15H19N3O3S2/c19-23(20,15-4-2-10-22-15)17-12-14(13-3-1-5-16-11-13)18-6-8-21-9-7-18/h1-5,10-11,14,17H,6-9,12H2
InChIKeyQBZLAEIWECZKME-UHFFFAOYSA-N
XLogP1.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide (CID 3239525) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
The InChIKey is QBZLAEIWECZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c19-23(20,15-4-2-10-22-15)17-12-14(13-3-1-5-16-11-13)18-6-8-21-9-7-18/h1-5,10-11,14,17H,6-9,12H2.
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide has a molecular weight of 353.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3239525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).