5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide

C12H21N3O3S — CID 106077591

IUPAC5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCOC(C)C)nc1
InChIInChI=1S/C12H21N3O3S/c1-10(2)18-7-6-15-19(16,17)12-5-4-11(8-13-3)9-14-12/h4-5,9-10,13,15H,6-8H2,1-3H3
InChIKeyQPMPEUXAQJUWHJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.50
Rot. Bonds8

About 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide

5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide (PubChem CID 106077591) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
PubChem CID106077591
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCOC(C)C)nc1
InChIInChI=1S/C12H21N3O3S/c1-10(2)18-7-6-15-19(16,17)12-5-4-11(8-13-3)9-14-12/h4-5,9-10,13,15H,6-8H2,1-3H3
InChIKeyQPMPEUXAQJUWHJ-UHFFFAOYSA-N
XLogP0.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.50
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

5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
2-bromo-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077493
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide (CID 106077591) is 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCOC(C)C)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide?
The InChIKey is QPMPEUXAQJUWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(2)18-7-6-15-19(16,17)12-5-4-11(8-13-3)9-14-12/h4-5,9-10,13,15H,6-8H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide?
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106077591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).