N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide

C12H16N4O3S — CID 106422776

IUPACN-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C12H16N4O3S/c1-2-6-13-12-11(4-3-7-14-12)20(17,18)16-9-10-5-8-15-19-10/h3-5,7-8,16H,2,6,9H2,1H3,(H,13,14)
InChIKeyBRKBUOLFUGBPEA-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.37
Rot. Bonds7

About N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide

N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 106422776) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID106422776
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C12H16N4O3S/c1-2-6-13-12-11(4-3-7-14-12)20(17,18)16-9-10-5-8-15-19-10/h3-5,7-8,16H,2,6,9H2,1H3,(H,13,14)
InChIKeyBRKBUOLFUGBPEA-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

2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63706789
N-(1,2-oxazol-4-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62915805
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide (CID 106422776) is N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is BRKBUOLFUGBPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-6-13-12-11(4-3-7-14-12)20(17,18)16-9-10-5-8-15-19-10/h3-5,7-8,16H,2,6,9H2,1H3,(H,13,14).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-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-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 106422776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).