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

C12H21N3O3S — CID 103305551

IUPAC3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
SMILESCC(C)CCOCCNS(=O)(=O)c1ncccc1N
InChIInChI=1S/C12H21N3O3S/c1-10(2)5-8-18-9-7-15-19(16,17)12-11(13)4-3-6-14-12/h3-4,6,10,15H,5,7-9,13H2,1-2H3
InChIKeyNBCJTSNSJYYAEJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.00
Rot. Bonds8

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

3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide (PubChem CID 103305551) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
PubChem CID103305551
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
SMILESCC(C)CCOCCNS(=O)(=O)c1ncccc1N
InChIInChI=1S/C12H21N3O3S/c1-10(2)5-8-18-9-7-15-19(16,17)12-11(13)4-3-6-14-12/h3-4,6,10,15H,5,7-9,13H2,1-2H3
InChIKeyNBCJTSNSJYYAEJ-UHFFFAOYSA-N
XLogP1.00
TPSA94.31 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 ≤ 51.00
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-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
CID 114129366
3-amino-N-(4-methoxybutyl)pyridine-2-sulfonamide
CID 103305180
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
3-amino-N-decylpyridine-2-sulfonamide
CID 103306537
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
3-amino-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-sulfonamide
CID 106342302
3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
2-[(3-amino-2-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103304775
3-hydrazinyl-N-(7-methyloctyl)pyridine-2-sulfonamide
CID 107816644
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 61486701
3-[(3-amino-2-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 103307140

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide (CID 103305551) is 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide is CC(C)CCOCCNS(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
The InChIKey is NBCJTSNSJYYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(2)5-8-18-9-7-15-19(16,17)12-11(13)4-3-6-14-12/h3-4,6,10,15H,5,7-9,13H2,1-2H3.
What are the key properties of 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide?
3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).