N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C9H16N2O4S — CID 71911225

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C9H16N2O4S/c1-7(2)9(5-12)11-16(13,14)6-8-3-4-15-10-8/h3-4,7,9,11-12H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyYZBKOVZVAVRDEY-SECBINFHSA-N
MW248.30 g/mol
LogP0.11
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71911225) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71911225
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C9H16N2O4S/c1-7(2)9(5-12)11-16(13,14)6-8-3-4-15-10-8/h3-4,7,9,11-12H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyYZBKOVZVAVRDEY-SECBINFHSA-N
XLogP0.11
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71911225) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is YZBKOVZVAVRDEY-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7(2)9(5-12)11-16(13,14)6-8-3-4-15-10-8/h3-4,7,9,11-12H,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 248.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71911225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).