N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

C14H21N3O3S — CID 80720276

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC2CC3CCC2O3)cn1
InChIInChI=1S/C14H21N3O3S/c1-2-7-15-14-6-4-11(9-16-14)21(18,19)17-12-8-10-3-5-13(12)20-10/h4,6,9-10,12-13,17H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyPLKCYLMNEYQDEG-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.50
Rot. Bonds6

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 80720276) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID80720276
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC2CC3CCC2O3)cn1
InChIInChI=1S/C14H21N3O3S/c1-2-7-15-14-6-4-11(9-16-14)21(18,19)17-12-8-10-3-5-13(12)20-10/h4,6,9-10,12-13,17H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyPLKCYLMNEYQDEG-UHFFFAOYSA-N
XLogP1.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
CID 80601602
N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64923262
N-(2-methylcyclohexyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62144356
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide
CID 80715203
2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide
CID 80720100
3-amino-4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714763
N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145648
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
CID 80715326
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 62149094
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743
6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-3-sulfonamide
CID 62152931

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 80720276) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NC2CC3CCC2O3)cn1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is PLKCYLMNEYQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-7-15-14-6-4-11(9-16-14)21(18,19)17-12-8-10-3-5-13(12)20-10/h4,6,9-10,12-13,17H,2-3,5,7-8H2,1H3,(H,15,16).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 80720276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).