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

C10H16N2O3S — CID 122559451

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cc(C2CC2)on1
InChIInChI=1S/C10H16N2O3S/c1-7(2)16(13,14)11-6-9-5-10(15-12-9)8-3-4-8/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyWHWFZKSCJQIJMP-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.38
Rot. Bonds5

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

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide (PubChem CID 122559451) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide
PubChem CID122559451
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cc(C2CC2)on1
InChIInChI=1S/C10H16N2O3S/c1-7(2)16(13,14)11-6-9-5-10(15-12-9)8-3-4-8/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyWHWFZKSCJQIJMP-UHFFFAOYSA-N
XLogP1.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide (CID 122559451) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cc(C2CC2)on1.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide?
The InChIKey is WHWFZKSCJQIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(2)16(13,14)11-6-9-5-10(15-12-9)8-3-4-8/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 122559451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).