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

C22H31N5O2S — CID 155038829

IUPACN-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCn1c(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)nc(N)cc1=O
InChIInChI=1S/C22H31N5O2S/c1-21(2,3)30(29)25-19-16-8-6-5-7-15(16)14-22(19)9-11-27(12-10-22)20-24-17(23)13-18(28)26(20)4/h5-8,13,19,25H,9-12,14,23H2,1-4H3/t19-,30?/m1/s1
InChIKeyDOERSJKNHDAZMR-HZRSZRRBSA-N
MW429.59 g/mol
LogP2.30
Rot. Bonds3

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

N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155038829) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[(1S)-1'-(4-amino-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'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID155038829
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCn1c(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)nc(N)cc1=O
InChIInChI=1S/C22H31N5O2S/c1-21(2,3)30(29)25-19-16-8-6-5-7-15(16)14-22(19)9-11-27(12-10-22)20-24-17(23)13-18(28)26(20)4/h5-8,13,19,25H,9-12,14,23H2,1-4H3/t19-,30?/m1/s1
InChIKeyDOERSJKNHDAZMR-HZRSZRRBSA-N
XLogP2.30
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
CID 146485682
(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
2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
(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
[[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-5-(2-trimethylsilylethynyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]amino]-tert-butyl-oxidosulfanium
CID 174230746
(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
N-[(1S)-1'-[5-(2-aminopyrimidin-4-yl)sulfanyl-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155035691
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
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
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylic acid
CID 155164088
(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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(4-amino-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'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 155038829) is N-[(1S)-1'-(4-amino-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'-(4-amino-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'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is Cn1c(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)nc(N)cc1=O.
What is the InChIKey of N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DOERSJKNHDAZMR-HZRSZRRBSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-21(2,3)30(29)25-19-16-8-6-5-7-15(16)14-22(19)9-11-27(12-10-22)20-24-17(23)13-18(28)26(20)4/h5-8,13,19,25H,9-12,14,23H2,1-4H3/t19-,30?/m1/s1.
What are the key properties of N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 429.59 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155038829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).