1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C25H33Cl2N3OS — CID 153313114

IUPAC1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCc1cc(N2CCC3(CCC[C@@H]3CC(C)(C)S(N)=O)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3OS/c1-17-14-19(16-29-23(17)20-7-4-8-21(26)22(20)27)30-12-10-25(11-13-30)9-5-6-18(25)15-24(2,3)32(28)31/h4,7-8,14,16,18H,5-6,9-13,15,28H2,1-3H3/t18-,32?/m1/s1
InChIKeyACOZLTJSNNIXAV-DTWMZXIHSA-N
MW494.53 g/mol
LogP6.54
Rot. Bonds5

About 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 153313114) has the molecular formula C25H33Cl2N3OS and a molecular weight of 494.53 g/mol. Its IUPAC name is 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID153313114
Molecular FormulaC25H33Cl2N3OS
Molecular Weight494.53 g/mol
Exact Mass493.17
IUPAC Name1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCc1cc(N2CCC3(CCC[C@@H]3CC(C)(C)S(N)=O)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3OS/c1-17-14-19(16-29-23(17)20-7-4-8-21(26)22(20)27)30-12-10-25(11-13-30)9-5-6-18(25)15-24(2,3)32(28)31/h4,7-8,14,16,18H,5-6,9-13,15,28H2,1-3H3/t18-,32?/m1/s1
InChIKeyACOZLTJSNNIXAV-DTWMZXIHSA-N
XLogP6.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 135240929
(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-amine;N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 160854454
5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
CID 135255029
1-[(1S)-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171768826
8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
CID 145413066
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 139309803
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427222
6-(2,3-dichlorophenyl)-5-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylic acid
CID 138735000
tert-butyl N-[(4R)-8-[5-(2,3-dichlorophenyl)-3-[methoxy(methyl)carbamoyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 134183164
tert-butyl 3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,3-b]pyridine-1-carboxylate
CID 150337997
8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
CID 118247736

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 153313114) is 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is Cc1cc(N2CCC3(CCC[C@@H]3CC(C)(C)S(N)=O)CC2)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ACOZLTJSNNIXAV-DTWMZXIHSA-N. The full InChI is InChI=1S/C25H33Cl2N3OS/c1-17-14-19(16-29-23(17)20-7-4-8-21(26)22(20)27)30-12-10-25(11-13-30)9-5-6-18(25)15-24(2,3)32(28)31/h4,7-8,14,16,18H,5-6,9-13,15,28H2,1-3H3/t18-,32?/m1/s1.
What are the key properties of 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 494.53 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 153313114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).