N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide

C10H17N3O3S — CID 114171596

IUPACN-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
SMILESNCCOCCCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H17N3O3S/c11-4-8-16-7-2-6-13-17(14,15)10-3-1-5-12-9-10/h1,3,5,9,13H,2,4,6-8,11H2
InChIKeyGQTZOUJNHZYQCI-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.27
Rot. Bonds8

About N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide

N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide (PubChem CID 114171596) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
PubChem CID114171596
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
SMILESNCCOCCCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H17N3O3S/c11-4-8-16-7-2-6-13-17(14,15)10-3-1-5-12-9-10/h1,3,5,9,13H,2,4,6-8,11H2
InChIKeyGQTZOUJNHZYQCI-UHFFFAOYSA-N
XLogP-0.27
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-propylpyridine-3-sulfonamide
CID 43258995
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 91814434

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide (CID 114171596) is N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide is NCCOCCCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide?
The InChIKey is GQTZOUJNHZYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c11-4-8-16-7-2-6-13-17(14,15)10-3-1-5-12-9-10/h1,3,5,9,13H,2,4,6-8,11H2.
What are the key properties of N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide?
N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114171596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).