N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide

C14H26N4O2S — CID 62159155

IUPACN-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCCCCN(C)C)ccn1
InChIInChI=1S/C14H26N4O2S/c1-4-8-15-14-12-13(7-10-16-14)21(19,20)17-9-5-6-11-18(2)3/h7,10,12,17H,4-6,8-9,11H2,1-3H3,(H,15,16)
InChIKeyNJCNYHSITZIWBU-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.52
Rot. Bonds10

About N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide

N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 62159155) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
PubChem CID62159155
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCCCCN(C)C)ccn1
InChIInChI=1S/C14H26N4O2S/c1-4-8-15-14-12-13(7-10-16-14)21(19,20)17-9-5-6-11-18(2)3/h7,10,12,17H,4-6,8-9,11H2,1-3H3,(H,15,16)
InChIKeyNJCNYHSITZIWBU-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 ≤ 500314.46
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-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666
N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62158260
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
CID 107589827
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide (CID 62159155) is N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NCCCCN(C)C)ccn1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is NJCNYHSITZIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-8-15-14-12-13(7-10-16-14)21(19,20)17-9-5-6-11-18(2)3/h7,10,12,17H,4-6,8-9,11H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide?
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 314.46 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-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62159155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).