(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide

C16H25N3OS — CID 162375032

IUPAC(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
SMILES[2H]C1([2H])c2ncccc2[C@@]([2H])(N[S@](=O)C(C)(C)C)C12CCNCC2
InChIInChI=1S/C16H25N3OS/c1-15(2,3)21(20)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16/h4-5,8,14,17,19H,6-7,9-11H2,1-3H3/t14-,21-/m1/s1/i11D2,14D
InChIKeyWWWKENJOIZUKDI-NMMLKWHVSA-N
MW310.48 g/mol
LogP2.10
Rot. Bonds2

About (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide (PubChem CID 162375032) has the molecular formula C16H25N3OS and a molecular weight of 310.48 g/mol. Its IUPAC name is (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
PubChem CID162375032
Molecular FormulaC16H25N3OS
Molecular Weight310.48 g/mol
Exact Mass310.19
IUPAC Name(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
SMILES[2H]C1([2H])c2ncccc2[C@@]([2H])(N[S@](=O)C(C)(C)C)C12CCNCC2
InChIInChI=1S/C16H25N3OS/c1-15(2,3)21(20)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16/h4-5,8,14,17,19H,6-7,9-11H2,1-3H3/t14-,21-/m1/s1/i11D2,14D
InChIKeyWWWKENJOIZUKDI-NMMLKWHVSA-N
XLogP2.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide
CID 155796534
(R)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 151205866
(R)-N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 164743854
tert-butyl (5R)-5-[[(R)-tert-butylsulfinyl]amino]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146482780
(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
CID 153482804
spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
CID 155165273
sodium 5-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]pyrazine-2-thiolate
CID 176652528
(R)-N-(7-azaspiro[3.5]nonan-2-yl)-2-methylpropane-2-sulfinamide
CID 139427337
2-methyl-N-spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-ylpropane-2-sulfinamide
CID 164743553
(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
CID 155774410
(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

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide (CID 162375032) is (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide is [2H]C1([2H])c2ncccc2[C@@]([2H])(N[S@](=O)C(C)(C)C)C12CCNCC2.
What is the InChIKey of (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide?
The InChIKey is WWWKENJOIZUKDI-NMMLKWHVSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-15(2,3)21(20)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16/h4-5,8,14,17,19H,6-7,9-11H2,1-3H3/t14-,21-/m1/s1/i11D2,14D.
What are the key properties of (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide has a molecular weight of 310.48 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide is sourced from PubChem (CID 162375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).