N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C24H30N4O2S — CID 166823765

IUPACN-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESC#Cc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n(C)c1=O
InChIInChI=1S/C24H30N4O2S/c1-6-17-16-25-22(27(5)21(17)29)28-13-11-24(12-14-28)15-18-9-7-8-10-19(18)20(24)26-31(30)23(2,3)4/h1,7-10,16,20,26H,11-15H2,2-5H3/t20-,31?/m1/s1
InChIKeyJDWSXFIBJUXLID-DXHYANOHSA-N
MW438.60 g/mol
LogP2.70
Rot. Bonds3

About N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 166823765) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID166823765
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC NameN-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESC#Cc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n(C)c1=O
InChIInChI=1S/C24H30N4O2S/c1-6-17-16-25-22(27(5)21(17)29)28-13-11-24(12-14-28)15-18-9-7-8-10-19(18)20(24)26-31(30)23(2,3)4/h1,7-10,16,20,26H,11-15H2,2-5H3/t20-,31?/m1/s1
InChIKeyJDWSXFIBJUXLID-DXHYANOHSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155038829
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
CID 146485682
(R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 162501224
N-[(1S)-1'-[3-(hydroxymethyl)-5-[2-(1-methylimidazol-4-yl)ethynyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 166673737
2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
(R)-N-[(1S)-1'-[6-amino-5-(hydroxymethyl)pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 169100642
(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155774385
(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 166070698
(R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 155184999
N-[(1S)-1'-[3-(hydroxymethyl)-5-pyrimidin-4-ylsulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155035671
(R)-N-[(1S)-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155774229
1-[3-[5-[(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]prop-2-ynyl]pyrazole-3-carboxamide
CID 166823772

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 166823765) is N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is C#Cc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n(C)c1=O.
What is the InChIKey of N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is JDWSXFIBJUXLID-DXHYANOHSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-6-17-16-25-22(27(5)21(17)29)28-13-11-24(12-14-28)15-18-9-7-8-10-19(18)20(24)26-31(30)23(2,3)4/h1,7-10,16,20,26H,11-15H2,2-5H3/t20-,31?/m1/s1.
What are the key properties of N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 438.60 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166823765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).