N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide

C12H16N4O3S — CID 103306623

IUPACN-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C12H16N4O3S/c1-2-6-13-11-4-3-7-14-12(11)20(17,18)15-9-10-5-8-19-16-10/h3-5,7-8,13,15H,2,6,9H2,1H3
InChIKeyHDNCZENHZVRPEV-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.37
Rot. Bonds7

About N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide

N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103306623) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103306623
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C12H16N4O3S/c1-2-6-13-11-4-3-7-14-12(11)20(17,18)15-9-10-5-8-19-16-10/h3-5,7-8,13,15H,2,6,9H2,1H3
InChIKeyHDNCZENHZVRPEV-UHFFFAOYSA-N
XLogP1.37
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
CID 103306549
3-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-sulfonamide
CID 103305089
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242
N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304982
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide (CID 103306623) is N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is HDNCZENHZVRPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-6-13-11-4-3-7-14-12(11)20(17,18)15-9-10-5-8-19-16-10/h3-5,7-8,13,15H,2,6,9H2,1H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).