About N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 118238384) has the molecular formula C24H36ClN7OS2
and a molecular weight of 538.19 g/mol. Its IUPAC name is N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
Molecular Properties
| Compound Name | N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide |
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| PubChem CID | 118238384 |
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| Molecular Formula | C24H36ClN7OS2 |
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| Molecular Weight | 538.19 g/mol |
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| Exact Mass | 537.21 |
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| IUPAC Name | N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide |
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| SMILES | CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4NS(=O)C(C)(C)C)CC3)nc2N)c1Cl |
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| InChI | InChI=1S/C24H36ClN7OS2/c1-23(2,3)35(33)30-17-7-6-9-24(17)10-13-32(14-11-24)18-15-28-22(20(26)29-18)34-16-8-12-27-21(19(16)25)31(4)5/h8,12,15,17,30H,6-7,9-11,13-14H2,1-5H3,(H2,26,29)/t17-,35?/m1/s1 |
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| InChIKey | JTYUZTRUQNXYDI-HAMJCCENSA-N |
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| XLogP | 4.52 |
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| TPSA | 100.27 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 538.19 |
| LogP ≤ 5 | 4.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 118238384) is N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4NS(=O)C(C)(C)C)CC3)nc2N)c1Cl.
What is the InChIKey of N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is JTYUZTRUQNXYDI-HAMJCCENSA-N. The full InChI is InChI=1S/C24H36ClN7OS2/c1-23(2,3)35(33)30-17-7-6-9-24(17)10-13-32(14-11-24)18-15-28-22(20(26)29-18)34-16-8-12-27-21(19(16)25)31(4)5/h8,12,15,17,30H,6-7,9-11,13-14H2,1-5H3,(H2,26,29)/t17-,35?/m1/s1.
What are the key properties of N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 538.19 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118238384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).