3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide

C12H16N4O3S — CID 106376687

IUPAC3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C12H16N4O3S/c1-3-13-10-5-4-6-14-12(10)20(17,18)16-8-11-15-7-9(2)19-11/h4-7,13,16H,3,8H2,1-2H3
InChIKeyNCFLQGUUULDLMQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.29
Rot. Bonds6

About 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide

3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide (PubChem CID 106376687) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
PubChem CID106376687
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C12H16N4O3S/c1-3-13-10-5-4-6-14-12(10)20(17,18)16-8-11-15-7-9(2)19-11/h4-7,13,16H,3,8H2,1-2H3
InChIKeyNCFLQGUUULDLMQ-UHFFFAOYSA-N
XLogP1.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-sulfonamide
CID 103305089
3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
CID 103304947
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305421
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306246
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide (CID 106376687) is 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCc1ncc(C)o1.
What is the InChIKey of 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is NCFLQGUUULDLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-13-10-5-4-6-14-12(10)20(17,18)16-8-11-15-7-9(2)19-11/h4-7,13,16H,3,8H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide?
3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106376687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).