N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide

C9H16N2O3S — CID 90537785

IUPACN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1cc(C)no1
InChIInChI=1S/C9H16N2O3S/c1-3-6-15(12,13)10-5-4-9-7-8(2)11-14-9/h7,10H,3-6H2,1-2H3
InChIKeySMOUMZRJWAQJFJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.85
Rot. Bonds6

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

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 90537785) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID90537785
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1cc(C)no1
InChIInChI=1S/C9H16N2O3S/c1-3-6-15(12,13)10-5-4-9-7-8(2)11-14-9/h7,10H,3-6H2,1-2H3
InChIKeySMOUMZRJWAQJFJ-UHFFFAOYSA-N
XLogP0.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide (CID 90537785) is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1cc(C)no1.
What is the InChIKey of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is SMOUMZRJWAQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-6-15(12,13)10-5-4-9-7-8(2)11-14-9/h7,10H,3-6H2,1-2H3.
What are the key properties of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide?
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90537785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).