5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide

C14H25N3O3S — CID 106018652

IUPAC5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCOCCC(C)C)nc1
InChIInChI=1S/C14H25N3O3S/c1-12(2)6-8-20-9-7-17-21(18,19)14-5-4-13(10-15-3)11-16-14/h4-5,11-12,15,17H,6-10H2,1-3H3
InChIKeyYTOOLQQXLOPMNJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.14
Rot. Bonds10

About 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide

5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide (PubChem CID 106018652) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
PubChem CID106018652
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCOCCC(C)C)nc1
InChIInChI=1S/C14H25N3O3S/c1-12(2)6-8-20-9-7-17-21(18,19)14-5-4-13(10-15-3)11-16-14/h4-5,11-12,15,17H,6-10H2,1-3H3
InChIKeyYTOOLQQXLOPMNJ-UHFFFAOYSA-N
XLogP1.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.14
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-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide (CID 106018652) is 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCOCCC(C)C)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
The InChIKey is YTOOLQQXLOPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-12(2)6-8-20-9-7-17-21(18,19)14-5-4-13(10-15-3)11-16-14/h4-5,11-12,15,17H,6-10H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106018652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).