(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid

C16H21F3N2O3S — CID 155856040

IUPAC(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN1CCCC2(CCN(C(=O)c3ccsc3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N2OS.C2HF3O2/c1-15-6-2-4-14(10-15)5-7-16(11-14)13(17)12-3-8-18-9-12;3-2(4,5)1(6)7/h3,8-9H,2,4-7,10-11H2,1H3;(H,6,7)
InChIKeyDDSKPKULWUYQNR-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.94
Rot. Bonds1

About (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid

(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155856040) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155856040
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN1CCCC2(CCN(C(=O)c3ccsc3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N2OS.C2HF3O2/c1-15-6-2-4-14(10-15)5-7-16(11-14)13(17)12-3-8-18-9-12;3-2(4,5)1(6)7/h3,8-9H,2,4-7,10-11H2,1H3;(H,6,7)
InChIKeyDDSKPKULWUYQNR-UHFFFAOYSA-N
XLogP2.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[2-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839257
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97393811
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 97449449
thiophen-3-yl-[2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829071
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745523
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217
[7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 97472794
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098

Frequently Asked Questions

What is the IUPAC name of (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid (CID 155856040) is (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid is CN1CCCC2(CCN(C(=O)c3ccsc3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DDSKPKULWUYQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.C2HF3O2/c1-15-6-2-4-14(10-15)5-7-16(11-14)13(17)12-3-8-18-9-12;3-2(4,5)1(6)7/h3,8-9H,2,4-7,10-11H2,1H3;(H,6,7).
What are the key properties of (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid?
(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 378.42 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155856040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).