2-(ethylamino)-N-pentylpyridine-3-sulfonamide

C12H21N3O2S — CID 62162989

IUPAC2-(ethylamino)-N-pentylpyridine-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cccnc1NCC
InChIInChI=1S/C12H21N3O2S/c1-3-5-6-10-15-18(16,17)11-8-7-9-14-12(11)13-4-2/h7-9,15H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyGKCHUBYAKHXFPF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.98
Rot. Bonds8

About 2-(ethylamino)-N-pentylpyridine-3-sulfonamide

2-(ethylamino)-N-pentylpyridine-3-sulfonamide (PubChem CID 62162989) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-pentylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-pentylpyridine-3-sulfonamide
PubChem CID62162989
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(ethylamino)-N-pentylpyridine-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cccnc1NCC
InChIInChI=1S/C12H21N3O2S/c1-3-5-6-10-15-18(16,17)11-8-7-9-14-12(11)13-4-2/h7-9,15H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyGKCHUBYAKHXFPF-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-butylquinoline-8-sulfonamide
CID 2068304
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
2-(ethylamino)-N-pyridin-4-ylpyridine-3-sulfonamide
CID 62143000

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-pentylpyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-pentylpyridine-3-sulfonamide (CID 62162989) is 2-(ethylamino)-N-pentylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-pentylpyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-pentylpyridine-3-sulfonamide is CCCCCNS(=O)(=O)c1cccnc1NCC.
What is the InChIKey of 2-(ethylamino)-N-pentylpyridine-3-sulfonamide?
The InChIKey is GKCHUBYAKHXFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-5-6-10-15-18(16,17)11-8-7-9-14-12(11)13-4-2/h7-9,15H,3-6,10H2,1-2H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-pentylpyridine-3-sulfonamide?
2-(ethylamino)-N-pentylpyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-pentylpyridine-3-sulfonamide is sourced from PubChem (CID 62162989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).