[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone

C13H19NO2S — CID 27212063

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1scc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C13H19NO2S/c1-8-5-14(6-9(2)16-8)13(15)12-7-17-11(4)10(12)3/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyLXOLBRPCIQTSLT-IUCAKERBSA-N
MW253.37 g/mol
LogP2.61
Rot. Bonds1

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone (PubChem CID 27212063) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
PubChem CID27212063
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1scc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C13H19NO2S/c1-8-5-14(6-9(2)16-8)13(15)12-7-17-11(4)10(12)3/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyLXOLBRPCIQTSLT-IUCAKERBSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 7872422
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 29056923
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone (CID 27212063) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone is Cc1scc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The InChIKey is LXOLBRPCIQTSLT-IUCAKERBSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8-5-14(6-9(2)16-8)13(15)12-7-17-11(4)10(12)3/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 27212063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).