N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid

C18H27F3N2O7S — CID 155848323

IUPACN-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccco1)CC1CCC2(COCCN(S(C)(=O)=O)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N2O5S.C2HF3O2/c1-17(10-14-4-3-8-22-14)11-15-5-6-16(23-15)12-18(24(2,19)20)7-9-21-13-16;3-2(4,5)1(6)7/h3-4,8,15H,5-7,9-13H2,1-2H3;(H,6,7)
InChIKeyWQKVOLWXIVDPTO-UHFFFAOYSA-N
MW472.48 g/mol
LogP1.55
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid

N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 155848323) has the molecular formula C18H27F3N2O7S and a molecular weight of 472.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID155848323
Molecular FormulaC18H27F3N2O7S
Molecular Weight472.48 g/mol
Exact Mass472.15
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccco1)CC1CCC2(COCCN(S(C)(=O)=O)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N2O5S.C2HF3O2/c1-17(10-14-4-3-8-22-14)11-15-5-6-16(23-15)12-18(24(2,19)20)7-9-21-13-16;3-2(4,5)1(6)7/h3-4,8,15H,5-7,9-13H2,1-2H3;(H,6,7)
InChIKeyWQKVOLWXIVDPTO-UHFFFAOYSA-N
XLogP1.55
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
CID 131663642
1-[2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]propan-1-one
CID 131642573
N-(furan-2-ylmethyl)-N-methyl-1-[(2S,5S)-7-pyrimidin-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 98823067
1-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]propan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155835024
1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine
CID 131660008
N-(furan-2-ylmethyl)-N-methyl-1-(8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methanamine;2,2,2-trifluoroacetic acid
CID 155845035
(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155844142
1-(furan-2-yl)-N-methyl-N-[(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
CID 118742578
(5R,7R)-2-methylsulfonyl-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155830110
1-[2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-2-(1-hydroxycyclobutyl)ethanone;2,2,2-trifluoroacetic acid
CID 155869325
8-methylsulfonyl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155845848
(3aS,8aR)-5-(furan-2-ylmethyl)-2-methylsulfonyl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155825947

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid (CID 155848323) is N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid is CN(Cc1ccco1)CC1CCC2(COCCN(S(C)(=O)=O)C2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is WQKVOLWXIVDPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S.C2HF3O2/c1-17(10-14-4-3-8-22-14)11-15-5-6-16(23-15)12-18(24(2,19)20)7-9-21-13-16;3-2(4,5)1(6)7/h3-4,8,15H,5-7,9-13H2,1-2H3;(H,6,7).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid?
N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 472.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155848323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).