(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone

C17H25NO2S — CID 25236977

IUPAC(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3c(s2)CCCCCC3)CC(C)O1
InChIInChI=1S/C17H25NO2S/c1-12-10-18(11-13(2)20-12)17(19)16-9-14-7-5-3-4-6-8-15(14)21-16/h9,12-13H,3-8,10-11H2,1-2H3
InChIKeyBJMOIPIDLJKIAG-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.66
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone (PubChem CID 25236977) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
PubChem CID25236977
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3c(s2)CCCCCC3)CC(C)O1
InChIInChI=1S/C17H25NO2S/c1-12-10-18(11-13(2)20-12)17(19)16-9-14-7-5-3-4-6-8-15(14)21-16/h9,12-13H,3-8,10-11H2,1-2H3
InChIKeyBJMOIPIDLJKIAG-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone with MolForge

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Related Compounds

4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 102555387
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95158444
[(3R)-3-aminopyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 81469860
1-[4-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 154852601
(3R,4R)-4-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979073
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 66211793
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone
CID 94053943
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 110107972
(3-aminopiperidin-1-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119378461
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115966301

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone (CID 25236977) is (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone is CC1CN(C(=O)c2cc3c(s2)CCCCCC3)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone?
The InChIKey is BJMOIPIDLJKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-10-18(11-13(2)20-12)17(19)16-9-14-7-5-3-4-6-8-15(14)21-16/h9,12-13H,3-8,10-11H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone has a molecular weight of 307.46 g/mol, XLogP of 3.66, 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)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone is sourced from PubChem (CID 25236977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).