methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate

C15H24N2O5S — CID 11941266

IUPACmethyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate
SMILESCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)OC
InChIInChI=1S/C15H24N2O5S/c1-5-12-9-17(7-6-13(12)8-14(18)21-4)23(19,20)15-10(2)16-22-11(15)3/h12-13H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyUMBXONILSDQYBW-STQMWFEESA-N
MW344.43 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate

methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate (PubChem CID 11941266) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate
PubChem CID11941266
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Namemethyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate
SMILESCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)OC
InChIInChI=1S/C15H24N2O5S/c1-5-12-9-17(7-6-13(12)8-14(18)21-4)23(19,20)15-10(2)16-22-11(15)3/h12-13H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyUMBXONILSDQYBW-STQMWFEESA-N
XLogP1.89
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate with MolForge

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Related Compounds

2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone
CID 11912473
2-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 162808406
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate?
The IUPAC name of methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate (CID 11941266) is methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate is CC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate?
The InChIKey is UMBXONILSDQYBW-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-12-9-17(7-6-13(12)8-14(18)21-4)23(19,20)15-10(2)16-22-11(15)3/h12-13H,5-9H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate?
methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate has a molecular weight of 344.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate is sourced from PubChem (CID 11941266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).