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

C25H33Cl2N3OS — CID 135240929

IUPACN-[(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]3NS(=O)C(C)(C)C)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3OS/c1-17-15-18(16-28-23(17)19-7-5-8-20(26)22(19)27)30-13-11-25(12-14-30)10-6-9-21(25)29-32(31)24(2,3)4/h5,7-8,15-16,21,29H,6,9-14H2,1-4H3/t21-,32?/m1/s1
InChIKeyFMLPOQPSDNSNNJ-LFDVRYLKSA-N
MW494.53 g/mol
LogP6.55
Rot. Bonds4

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

N-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135240929) has the molecular formula C25H33Cl2N3OS and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID135240929
Molecular FormulaC25H33Cl2N3OS
Molecular Weight494.53 g/mol
Exact Mass493.17
IUPAC NameN-[(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]3NS(=O)C(C)(C)C)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3OS/c1-17-15-18(16-28-23(17)19-7-5-8-20(26)22(19)27)30-13-11-25(12-14-30)10-6-9-21(25)29-32(31)24(2,3)4/h5,7-8,15-16,21,29H,6,9-14H2,1-4H3/t21-,32?/m1/s1
InChIKeyFMLPOQPSDNSNNJ-LFDVRYLKSA-N
XLogP6.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 153313114
(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
N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 155408810
CID 157232971
CID 157232971
5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 161428677
3-[3-amino-5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chlorobenzamide
CID 118247982
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
5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
CID 135255029
N-[(4R)-8-(8-iodo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 139427881
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
(R)-N-[(4S)-1'-[3-(2,3-dichlorophenyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide
CID 165387951
(R)-N-[(1S)-6-bromo-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170551994

Frequently Asked Questions

What is the IUPAC name of N-[(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 N-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 135240929) is N-[(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 N-[(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 N-[(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]3NS(=O)C(C)(C)C)CC2)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is FMLPOQPSDNSNNJ-LFDVRYLKSA-N. The full InChI is InChI=1S/C25H33Cl2N3OS/c1-17-15-18(16-28-23(17)19-7-5-8-20(26)22(19)27)30-13-11-25(12-14-30)10-6-9-21(25)29-32(31)24(2,3)4/h5,7-8,15-16,21,29H,6,9-14H2,1-4H3/t21-,32?/m1/s1.
What are the key properties of N-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
N-[(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 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(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 135240929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).