(2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone

C12H17NO2S — CID 3613816

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H17NO2S/c1-8-4-5-16-11(8)12(14)13-6-9(2)15-10(3)7-13/h4-5,9-10H,6-7H2,1-3H3
InChIKeyVXXYJKCFIMSTAN-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.31
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 3613816) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID3613816
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H17NO2S/c1-8-4-5-16-11(8)12(14)13-6-9(2)15-10(3)7-13/h4-5,9-10H,6-7H2,1-3H3
InChIKeyVXXYJKCFIMSTAN-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2998722
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
4-Ethyl-5-methyl-N-(2-methyl-2-morpholinopropyl)thiophene-2-carboxamide
CID 24981570
3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162623
4-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]morpholine
CID 1246298
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(5-methylthiophen-3-yl)methanone
CID 1246558
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 3998876

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone (CID 3613816) is (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is VXXYJKCFIMSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-4-5-16-11(8)12(14)13-6-9(2)15-10(3)7-13/h4-5,9-10H,6-7H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 3613816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).