[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C16H21F3N2O4S — CID 154891880

IUPAC[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1c1ccc(C(=O)N2CCOCC2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N2O2S.C2HF3O2/c1-15-6-2-3-11(15)12-4-5-13(19-12)14(17)16-7-9-18-10-8-16;3-2(4,5)1(6)7/h4-5,11H,2-3,6-10H2,1H3;(H,6,7)
InChIKeyMSCVTHSZGZCINQ-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.62
Rot. Bonds2

About [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 154891880) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID154891880
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC Name[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1c1ccc(C(=O)N2CCOCC2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N2O2S.C2HF3O2/c1-15-6-2-3-11(15)12-4-5-13(19-12)14(17)16-7-9-18-10-8-16;3-2(4,5)1(6)7/h4-5,11H,2-3,6-10H2,1H3;(H,6,7)
InChIKeyMSCVTHSZGZCINQ-UHFFFAOYSA-N
XLogP2.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[1-(5-ethyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 45213659
[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 45233811
(6-amino-3-pyridinyl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
CID 45214303
1-[(2S)-2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 31125619
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45204442
(4-hydroxypiperidin-1-yl)-[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 45218829
(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 31054211
3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95628126
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-[1-(3-methylbutyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 45249650
morpholin-4-yl-[5-(N-phenylanilino)thiophen-2-yl]methanone
CID 27160385
(E)-3-(1-methylpyrazol-4-yl)-1-[(2S)-2-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 29150250

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 154891880) is [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is CN1CCCC1c1ccc(C(=O)N2CCOCC2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is MSCVTHSZGZCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.C2HF3O2/c1-15-6-2-3-11(15)12-4-5-13(19-12)14(17)16-7-9-18-10-8-16;3-2(4,5)1(6)7/h4-5,11H,2-3,6-10H2,1H3;(H,6,7).
What are the key properties of [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 394.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).