5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone

C14H19NO2S — CID 94053943

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)[C@@H](C)CO1
InChIInChI=1S/C14H19NO2S/c1-9-8-17-10(2)7-15(9)14(16)13-6-11-4-3-5-12(11)18-13/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyJSNMRRMFAKFMCT-VHSXEESVSA-N
MW265.38 g/mol
LogP2.49
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone (PubChem CID 94053943) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone
PubChem CID94053943
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)[C@@H](C)CO1
InChIInChI=1S/C14H19NO2S/c1-9-8-17-10(2)7-15(9)14(16)13-6-11-4-3-5-12(11)18-13/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyJSNMRRMFAKFMCT-VHSXEESVSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 81211324
(3R,6S)-6-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide
CID 95138846
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 115491706
(2R,3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114768
(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 25236977
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705631
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95158444
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261702
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 110107972
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone (CID 94053943) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)[C@@H](C)CO1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone?
The InChIKey is JSNMRRMFAKFMCT-VHSXEESVSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-9-8-17-10(2)7-15(9)14(16)13-6-11-4-3-5-12(11)18-13/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone has a molecular weight of 265.38 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 94053943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).