2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide

C12H16N4O3S — CID 79237898

IUPAC2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C12H16N4O3S/c1-7-12(9(3)19-15-7)8(2)16-20(17,18)10-4-5-14-11(13)6-10/h4-6,8,16H,1-3H3,(H2,13,14)
InChIKeyCUXNPMITIZWKKZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 79237898) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
PubChem CID79237898
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C12H16N4O3S/c1-7-12(9(3)19-15-7)8(2)16-20(17,18)10-4-5-14-11(13)6-10/h4-6,8,16H,1-3H3,(H2,13,14)
InChIKeyCUXNPMITIZWKKZ-UHFFFAOYSA-N
XLogP1.31
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 79232966
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
CID 167974119
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide
CID 79231400
2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 62151663
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 79223860
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97065841
1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 79237652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide (CID 79237898) is 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is CUXNPMITIZWKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-12(9(3)19-15-7)8(2)16-20(17,18)10-4-5-14-11(13)6-10/h4-6,8,16H,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide?
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 79237898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).