N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid

C18H24F3N3O4S — CID 118744009

IUPACN-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3O2S.C2HF3O2/c1-17-14(20)11-19-7-2-4-16(19)5-8-18(9-6-16)15(21)13-3-10-22-12-13;3-2(4,5)1(6)7/h3,10,12H,2,4-9,11H2,1H3,(H,17,20);(H,6,7)
InChIKeyLOGLNRJCYZDKKG-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid

N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118744009) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118744009
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC NameN-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3O2S.C2HF3O2/c1-17-14(20)11-19-7-2-4-16(19)5-8-18(9-6-16)15(21)13-3-10-22-12-13;3-2(4,5)1(6)7/h3,10,12H,2,4-9,11H2,1H3,(H,17,20);(H,6,7)
InChIKeyLOGLNRJCYZDKKG-UHFFFAOYSA-N
XLogP2.20
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid (CID 118744009) is N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is LOGLNRJCYZDKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.C2HF3O2/c1-17-14(20)11-19-7-2-4-16(19)5-8-18(9-6-16)15(21)13-3-10-22-12-13;3-2(4,5)1(6)7/h3,10,12H,2,4-9,11H2,1H3,(H,17,20);(H,6,7).
What are the key properties of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid?
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 435.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).