N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide

C14H18N4O2S — CID 43605828

IUPACN-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCNCc1cccnc1)c1cccnc1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-5-2-7-17-12-14)18-9-3-8-16-11-13-4-1-6-15-10-13/h1-2,4-7,10,12,16,18H,3,8-9,11H2
InChIKeyAUUVNHCHNQNMEV-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.93
Rot. Bonds8

About N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide

N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide (PubChem CID 43605828) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
PubChem CID43605828
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCNCc1cccnc1)c1cccnc1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-5-2-7-17-12-14)18-9-3-8-16-11-13-4-1-6-15-10-13/h1-2,4-7,10,12,16,18H,3,8-9,11H2
InChIKeyAUUVNHCHNQNMEV-UHFFFAOYSA-N
XLogP0.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.93
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-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-propylpyridine-3-sulfonamide
CID 43258995
N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 100627148
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 91814434
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide (CID 43605828) is N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide is O=S(=O)(NCCCNCc1cccnc1)c1cccnc1.
What is the InChIKey of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide?
The InChIKey is AUUVNHCHNQNMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,14-5-2-7-17-12-14)18-9-3-8-16-11-13-4-1-6-15-10-13/h1-2,4-7,10,12,16,18H,3,8-9,11H2.
What are the key properties of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide?
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 43605828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).