N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide

C14H26N4O2S — CID 62143133

IUPACN-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H26N4O2S/c1-4-15-14-13(9-7-10-16-14)21(19,20)17-11-8-12-18(5-2)6-3/h7,9-10,17H,4-6,8,11-12H2,1-3H3,(H,15,16)
InChIKeyZRSTXWHDSHYBSO-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.52
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide

N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62143133) has the molecular formula C14H26N4O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62143133
Molecular FormulaC14H26N4O2S
Molecular Weight314.45 g/mol
Exact Mass314.18
IUPAC NameN-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H26N4O2S/c1-4-15-14-13(9-7-10-16-14)21(19,20)17-11-8-12-18(5-2)6-3/h7,9-10,17H,4-6,8,11-12H2,1-3H3,(H,15,16)
InChIKeyZRSTXWHDSHYBSO-UHFFFAOYSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.52
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

2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 16788421
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62635837
2-[3-(diethylamino)propylsulfamoyl]benzenecarbothioamide
CID 29269755
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
4-chloro-N-[3-(diethylamino)propyl]pyridine-3-sulfonamide
CID 15154305
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide (CID 62143133) is N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is ZRSTXWHDSHYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-15-14-13(9-7-10-16-14)21(19,20)17-11-8-12-18(5-2)6-3/h7,9-10,17H,4-6,8,11-12H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide?
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62143133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).