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

C18H28N2O4S — CID 71786045

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid
SMILESCN(C)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.O=CO
InChIInChI=1S/C17H26N2O2S.CH2O2/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;2-1-3/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3;1H,(H,2,3)
InChIKeyBAXXZHZPVMQYRA-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.05
Rot. Bonds4

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

[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid (PubChem CID 71786045) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid
PubChem CID71786045
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid
SMILESCN(C)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.O=CO
InChIInChI=1S/C17H26N2O2S.CH2O2/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;2-1-3/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3;1H,(H,2,3)
InChIKeyBAXXZHZPVMQYRA-UHFFFAOYSA-N
XLogP2.05
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
[3-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786048
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
Morpholin-4-yl-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435331
Ethyl 4-[1-(thiophen-2-yl)cyclopentanecarbonyl]piperazine-1-carboxylate
CID 42435345
[4-(2-Hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71783247
1-[3-[(Dimethylamino)methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 71785978
1-[3-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 71785980
2-(4-Methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 18915066

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid (CID 71786045) is [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid is CN(C)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.O=CO.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid?
The InChIKey is BAXXZHZPVMQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.CH2O2/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;2-1-3/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3;1H,(H,2,3).
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid?
[3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid has a molecular weight of 368.50 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone;formic acid is sourced from PubChem (CID 71786045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).