(2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C15H21NO2S — CID 3467368

IUPAC(2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3c(s2)CCCC3)CC(C)O1
InChIInChI=1S/C15H21NO2S/c1-10-8-16(9-11(2)18-10)15(17)14-7-12-5-3-4-6-13(12)19-14/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeySXJCKPJCGVNRKS-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.88
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 3467368) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID3467368
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3c(s2)CCCC3)CC(C)O1
InChIInChI=1S/C15H21NO2S/c1-10-8-16(9-11(2)18-10)15(17)14-7-12-5-3-4-6-13(12)19-14/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeySXJCKPJCGVNRKS-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 3467368) is (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is CC1CN(C(=O)c2cc3c(s2)CCCC3)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is SXJCKPJCGVNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10-8-16(9-11(2)18-10)15(17)14-7-12-5-3-4-6-13(12)19-14/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 279.40 g/mol, XLogP of 2.88, 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)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 3467368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).