2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide

C11H19N3O3S — CID 82946971

IUPAC2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C11H19N3O3S/c1-2-7-17-8-3-5-14-18(15,16)10-4-6-13-11(12)9-10/h4,6,9,14H,2-3,5,7-8H2,1H3,(H2,12,13)
InChIKeyJYKREYGFSDBQHJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.76
Rot. Bonds8

About 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide

2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide (PubChem CID 82946971) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
PubChem CID82946971
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C11H19N3O3S/c1-2-7-17-8-3-5-14-18(15,16)10-4-6-13-11(12)9-10/h4,6,9,14H,2-3,5,7-8H2,1H3,(H2,12,13)
InChIKeyJYKREYGFSDBQHJ-UHFFFAOYSA-N
XLogP0.76
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.76
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

3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710
3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074143
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide (CID 82946971) is 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide is CCCOCCCNS(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide?
The InChIKey is JYKREYGFSDBQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-7-17-8-3-5-14-18(15,16)10-4-6-13-11(12)9-10/h4,6,9,14H,2-3,5,7-8H2,1H3,(H2,12,13).
What are the key properties of 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide?
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide is sourced from PubChem (CID 82946971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).