N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide

C9H12N2O3S — CID 167768215

IUPACN-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1ncoc1C1CC1
InChIInChI=1S/C9H12N2O3S/c1-2-15(12,13)11-5-8-9(7-3-4-7)14-6-10-8/h2,6-7,11H,1,3-5H2
InChIKeyYJMGMHLCGANLSN-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.11
Rot. Bonds5

About N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide

N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide (PubChem CID 167768215) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide
PubChem CID167768215
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1ncoc1C1CC1
InChIInChI=1S/C9H12N2O3S/c1-2-15(12,13)11-5-8-9(7-3-4-7)14-6-10-8/h2,6-7,11H,1,3-5H2
InChIKeyYJMGMHLCGANLSN-UHFFFAOYSA-N
XLogP1.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide (CID 167768215) is N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide is C=CS(=O)(=O)NCc1ncoc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide?
The InChIKey is YJMGMHLCGANLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-15(12,13)11-5-8-9(7-3-4-7)14-6-10-8/h2,6-7,11H,1,3-5H2.
What are the key properties of N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide?
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide has a molecular weight of 228.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 167768215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).