1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one

C18H18N4O2S — CID 56901703

IUPAC1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(CSc1ncccn1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N4O2S/c23-15(12-25-17-19-8-3-9-20-17)22-10-6-18(7-11-22)13-4-1-2-5-14(13)21-16(18)24/h1-5,8-9H,6-7,10-12H2,(H,21,24)
InChIKeyIZAFHGUNPWMKIR-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.08
Rot. Bonds3

About 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one

1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56901703) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56901703
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(CSc1ncccn1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N4O2S/c23-15(12-25-17-19-8-3-9-20-17)22-10-6-18(7-11-22)13-4-1-2-5-14(13)21-16(18)24/h1-5,8-9H,6-7,10-12H2,(H,21,24)
InChIKeyIZAFHGUNPWMKIR-UHFFFAOYSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862924
1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862912
1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862913
2-pyrimidin-2-ylsulfanyl-1-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 1239284
1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862940
1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 69254533
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56895980
1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 25119442

Frequently Asked Questions

What is the IUPAC name of 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 56901703) is 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C(CSc1ncccn1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is IZAFHGUNPWMKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-15(12-25-17-19-8-3-9-20-17)22-10-6-18(7-11-22)13-4-1-2-5-14(13)21-16(18)24/h1-5,8-9H,6-7,10-12H2,(H,21,24).
What are the key properties of 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 354.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56901703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).