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

C17H26N2O2S — CID 71786046

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCN(C)CC1COCCN1C(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H26N2O2S/c1-18(2)12-14-13-21-10-9-19(14)16(20)17(7-3-4-8-17)15-6-5-11-22-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyCADBQSGMSLXANG-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.35
Rot. Bonds4

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

[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 71786046) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID71786046
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCN(C)CC1COCCN1C(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H26N2O2S/c1-18(2)12-14-13-21-10-9-19(14)16(20)17(7-3-4-8-17)15-6-5-11-22-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyCADBQSGMSLXANG-UHFFFAOYSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786048
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-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-2-ylethanone
CID 97402775
1-(1-Ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-2-ylethanone
CID 97491862
1-[1-(2-Methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
CID 97491874
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
1-[(5aR,9aS)-4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-2-ylethanone
CID 97511328
3-(3-Methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
CID 171346967
1-[4-(4-Thiophen-2-yloxane-4-carbonyl)piperazin-1-yl]ethanone
CID 7243499

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 71786046) is [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone is CN(C)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is CADBQSGMSLXANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18(2)12-14-13-21-10-9-19(14)16(20)17(7-3-4-8-17)15-6-5-11-22-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 322.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 71786046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).