[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone

C14H21NO2S — CID 29056923

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cs1
InChIInChI=1S/C14H21NO2S/c1-9(2)13-5-12(8-18-13)14(16)15-6-10(3)17-11(4)7-15/h5,8-11H,6-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyHYNBGOZFYQTFPB-GHMZBOCLSA-N
MW267.39 g/mol
LogP3.12
Rot. Bonds2

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 29056923) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID29056923
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cs1
InChIInChI=1S/C14H21NO2S/c1-9(2)13-5-12(8-18-13)14(16)15-6-10(3)17-11(4)7-15/h5,8-11H,6-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyHYNBGOZFYQTFPB-GHMZBOCLSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone
CID 27233404
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 27212063
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 18108345
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 29056923) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone is CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cs1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is HYNBGOZFYQTFPB-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9(2)13-5-12(8-18-13)14(16)15-6-10(3)17-11(4)7-15/h5,8-11H,6-7H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 267.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 29056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).