N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide

C12H22N4O2S — CID 62158260

IUPACN-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCCCN(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-13-12-7-6-11(10-14-12)19(17,18)15-8-4-5-9-16(2)3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyZXDVKKJIJHDQNY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.74
Rot. Bonds8

About N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide

N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62158260) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62158260
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCCCN(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-13-12-7-6-11(10-14-12)19(17,18)15-8-4-5-9-16(2)3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyZXDVKKJIJHDQNY-UHFFFAOYSA-N
XLogP0.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.74
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

N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
6-hydrazinyl-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 63003893
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63245102
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide (CID 62158260) is N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCCCCN(C)C)cn1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ZXDVKKJIJHDQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-13-12-7-6-11(10-14-12)19(17,18)15-8-4-5-9-16(2)3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,13,14).
What are the key properties of N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide?
N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62158260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).