8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C18H27F3N2O6S — CID 155846044

IUPAC8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(Cc3ccoc3)CC2)CN1S(C)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N2O4S.C2HF3O2/c1-21-12-15-9-16(13-18(15)23(2,19)20)4-6-17(7-5-16)10-14-3-8-22-11-14;3-2(4,5)1(6)7/h3,8,11,15H,4-7,9-10,12-13H2,1-2H3;(H,6,7)
InChIKeyZMGWEJIPNXQGLN-UHFFFAOYSA-N
MW456.48 g/mol
LogP2.18
Rot. Bonds5

About 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 155846044) has the molecular formula C18H27F3N2O6S and a molecular weight of 456.48 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID155846044
Molecular FormulaC18H27F3N2O6S
Molecular Weight456.48 g/mol
Exact Mass456.15
IUPAC Name8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESCOCC1CC2(CCN(Cc3ccoc3)CC2)CN1S(C)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N2O4S.C2HF3O2/c1-21-12-15-9-16(13-18(15)23(2,19)20)4-6-17(7-5-16)10-14-3-8-22-11-14;3-2(4,5)1(6)7/h3,8,11,15H,4-7,9-10,12-13H2,1-2H3;(H,6,7)
InChIKeyZMGWEJIPNXQGLN-UHFFFAOYSA-N
XLogP2.18
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;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

(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97487642
(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97476754
8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155833070
8-[(3-fluorophenyl)methyl]-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834191
8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155864094
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131646590
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867
cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474688
[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,2-oxazol-4-yl)methanone
CID 133139434
10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155832619
8-(furan-3-ylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847498
2-[3-(furan-3-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155829320

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 155846044) is 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is COCC1CC2(CCN(Cc3ccoc3)CC2)CN1S(C)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is ZMGWEJIPNXQGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S.C2HF3O2/c1-21-12-15-9-16(13-18(15)23(2,19)20)4-6-17(7-5-16)10-14-3-8-22-11-14;3-2(4,5)1(6)7/h3,8,11,15H,4-7,9-10,12-13H2,1-2H3;(H,6,7).
What are the key properties of 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 456.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).