[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C18H28N2O3S — CID 71786048

IUPAC[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCN(CCO)CC1COCCN1C(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H28N2O3S/c1-19(8-10-21)13-15-14-23-11-9-20(15)17(22)18(6-2-3-7-18)16-5-4-12-24-16/h4-5,12,15,21H,2-3,6-11,13-14H2,1H3
InChIKeyMWPRHNBRWLETGW-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.71
Rot. Bonds6

About [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 71786048) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID71786048
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCN(CCO)CC1COCCN1C(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H28N2O3S/c1-19(8-10-21)13-15-14-23-11-9-20(15)17(22)18(6-2-3-7-18)16-5-4-12-24-16/h4-5,12,15,21H,2-3,6-11,13-14H2,1H3
InChIKeyMWPRHNBRWLETGW-UHFFFAOYSA-N
XLogP1.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone with MolForge

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Related Compounds

(3-(((2-Hydroxyethyl)(methyl)amino)methyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone formate
CID 71786047
(3-(Hydroxymethyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71785836
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786046
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
2-(2-Methoxyethyl)-8-[4-(2-thienyl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72860662
1-[(4aR,7aS)-4-(cyclopentylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-2-ylethanone
CID 97510585
N1-(2-morpholinoethyl)-N2-((1-(thiophen-2-yl)cyclopentyl)methyl)oxalamide
CID 25882748
Ethyl 1-[1-(thiophen-2-yl)cyclopentanecarbonyl]piperidine-4-carboxylate
CID 42435336
N-(1-(2-methoxyethyl)piperidin-4-yl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71784707
1-(3-(((2-Hydroxyethyl)(methyl)amino)methyl)morpholino)-2-(thiophen-2-yl)ethanone formate
CID 71785979
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71683936
(3-((Dimethylamino)methyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone formate
CID 71786045

Frequently Asked Questions

What is the IUPAC name of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 71786048) is [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone is CN(CCO)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is MWPRHNBRWLETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-19(8-10-21)13-15-14-23-11-9-20(15)17(22)18(6-2-3-7-18)16-5-4-12-24-16/h4-5,12,15,21H,2-3,6-11,13-14H2,1H3.
What are the key properties of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 352.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 71786048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).