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

C14H21NO2S — CID 27233404

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C14H21NO2S/c1-4-5-13-6-12(9-18-13)14(16)15-7-10(2)17-11(3)8-15/h6,9-11H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyMSIKOUHZMXMYAO-QWRGUYRKSA-N
MW267.39 g/mol
LogP2.95
Rot. Bonds3

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

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone (PubChem CID 27233404) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone
PubChem CID27233404
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C14H21NO2S/c1-4-5-13-6-12(9-18-13)14(16)15-7-10(2)17-11(3)8-15/h6,9-11H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyMSIKOUHZMXMYAO-QWRGUYRKSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 72853307
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 29056923
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
CID 17193910
5-propylthiophene-3-carboxamide
CID 141324975
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
(3aS,7aR)-5-methyl-2-(5-propylthiophene-3-carbonyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70783030
[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 1246661
N-cyclopropyl-5-propylthiophene-3-carboxamide
CID 1244120
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone (CID 27233404) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone is CCCc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cs1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone?
The InChIKey is MSIKOUHZMXMYAO-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-5-13-6-12(9-18-13)14(16)15-7-10(2)17-11(3)8-15/h6,9-11H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone has a molecular weight of 267.39 g/mol, XLogP of 2.95, 3 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]-(5-propylthiophen-3-yl)methanone is sourced from PubChem (CID 27233404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).