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

C13H18N4O3S — CID 79231400

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C13H18N4O3S/c1-8-12(10(3)20-16-8)9(2)17-21(18,19)11-6-5-7-15-13(11)14-4/h5-7,9,17H,1-4H3,(H,14,15)
InChIKeySIOHAMJTYRAPCV-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.77
Rot. Bonds5

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 79231400) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide
PubChem CID79231400
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C13H18N4O3S/c1-8-12(10(3)20-16-8)9(2)17-21(18,19)11-6-5-7-15-13(11)14-4/h5-7,9,17H,1-4H3,(H,14,15)
InChIKeySIOHAMJTYRAPCV-UHFFFAOYSA-N
XLogP1.77
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide (CID 79231400) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NC(C)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is SIOHAMJTYRAPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-12(10(3)20-16-8)9(2)17-21(18,19)11-6-5-7-15-13(11)14-4/h5-7,9,17H,1-4H3,(H,14,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 79231400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).