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

C18H29N3O5S — CID 11912473

IUPAC2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C18H29N3O5S/c1-4-15-12-21(27(23,24)18-13(2)19-26-14(18)3)6-5-16(15)11-17(22)20-7-9-25-10-8-20/h15-16H,4-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyDCIICBPPKFGSJX-HOTGVXAUSA-N
MW399.51 g/mol
LogP1.58
Rot. Bonds5

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

2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 11912473) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID11912473
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C18H29N3O5S/c1-4-15-12-21(27(23,24)18-13(2)19-26-14(18)3)6-5-16(15)11-17(22)20-7-9-25-10-8-20/h15-16H,4-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyDCIICBPPKFGSJX-HOTGVXAUSA-N
XLogP1.58
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

methyl 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]acetate
CID 11941266
2-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 162808406
2-[(3S,4S)-3-ethyl-1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-morpholin-4-ylethanone
CID 162999498
1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 53118802
4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
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-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 9151317
2-cyclopent-2-en-1-yl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 17480622
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone (CID 11912473) is 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone is CC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is DCIICBPPKFGSJX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-4-15-12-21(27(23,24)18-13(2)19-26-14(18)3)6-5-16(15)11-17(22)20-7-9-25-10-8-20/h15-16H,4-12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone?
2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 399.51 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 11912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).