5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole

C13H15NO4S2 — CID 97252975

IUPAC5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(C[S@@](=O)CCS(=O)(=O)c2ccccc2)on1
InChIInChI=1S/C13H15NO4S2/c1-11-9-12(18-14-11)10-19(15)7-8-20(16,17)13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3/t19-/m0/s1
InChIKeyAMUWWFMUPKMGEQ-IBGZPJMESA-N
MW313.40 g/mol
LogP1.71
Rot. Bonds6

About 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole

5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole (PubChem CID 97252975) has the molecular formula C13H15NO4S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole
PubChem CID97252975
Molecular FormulaC13H15NO4S2
Molecular Weight313.40 g/mol
Exact Mass313.04
IUPAC Name5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(C[S@@](=O)CCS(=O)(=O)c2ccccc2)on1
InChIInChI=1S/C13H15NO4S2/c1-11-9-12(18-14-11)10-19(15)7-8-20(16,17)13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3/t19-/m0/s1
InChIKeyAMUWWFMUPKMGEQ-IBGZPJMESA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]methyl]benzenesulfonamide
CID 95569963
5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332582
3-methyl-5-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 71941898
5-[[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332595
[2-[2-(benzenesulfonyl)ethyl]-5-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 138385833
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599519
(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599524
N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 97220379
2-(3-methyl-1,2-oxazol-5-yl)-1,1-diphenylethanol
CID 852788
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole (CID 97252975) is 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole is Cc1cc(C[S@@](=O)CCS(=O)(=O)c2ccccc2)on1.
What is the InChIKey of 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is AMUWWFMUPKMGEQ-IBGZPJMESA-N. The full InChI is InChI=1S/C13H15NO4S2/c1-11-9-12(18-14-11)10-19(15)7-8-20(16,17)13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3/t19-/m0/s1.
What are the key properties of 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole?
5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 313.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 97252975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).