(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

C46H58Cl4N6OS3 — CID 160854454

IUPAC(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
SMILESCc1cc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CCC[C@H]3NS(=O)C(C)(C)C)CC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3OS2.C21H25Cl2N3S/c1-17-15-18(16-28-23(17)32-20-8-5-7-19(26)22(20)27)30-13-11-25(12-14-30)10-6-9-21(25)29-33(31)24(2,3)4;1-14-12-15(26-10-8-21(9-11-26)7-3-6-18(21)24)13-25-20(14)27-17-5-2-4-16(22)19(17)23/h5,7-8,15-16,21,29H,6,9-14H2,1-4H3;2,4-5,12-13,18H,3,6-11,24H2,1H3/t21-,33?;18-/m11/s1
InChIKeySJRNLHIWOCPTKD-GXZQJFEMSA-N
MW949.02 g/mol
LogP12.98
Rot. Bonds8

About (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

(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 (PubChem CID 160854454) has the molecular formula C46H58Cl4N6OS3 and a molecular weight of 949.02 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160854454
Molecular FormulaC46H58Cl4N6OS3
Molecular Weight949.02 g/mol
Exact Mass946.26
IUPAC Name(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
SMILESCc1cc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CCC[C@H]3NS(=O)C(C)(C)C)CC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3OS2.C21H25Cl2N3S/c1-17-15-18(16-28-23(17)32-20-8-5-7-19(26)22(20)27)30-13-11-25(12-14-30)10-6-9-21(25)29-33(31)24(2,3)4;1-14-12-15(26-10-8-21(9-11-26)7-3-6-18(21)24)13-25-20(14)27-17-5-2-4-16(22)19(17)23/h5,7-8,15-16,21,29H,6,9-14H2,1-4H3;2,4-5,12-13,18H,3,6-11,24H2,1H3/t21-,33?;18-/m11/s1
InChIKeySJRNLHIWOCPTKD-GXZQJFEMSA-N
XLogP12.98
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.02
LogP ≤ 512.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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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
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
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
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
1-[(4R)-8-[6-(2,3-dichlorophenyl)-5-methyl-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 153313114
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743569
(4R)-8-[6-(aminomethyl)-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182847
(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;methane
CID 159089252
(R)-N-[7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-yl]-2-methylpropane-2-sulfinamide
CID 144887444
CID 157232971
CID 157232971
methyl 6-(2,3-dichlorophenyl)sulfanyl-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-2-carboxylate
CID 153313118
potassium;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-bromo-6-chloropyrazin-2-amine;5-chloro-2-(2,3-dichlorophenyl)sulfanyl-3-ethenylpyrazine;5-chloro-2-(2,3-dichlorophenyl)sulfanyl-3-ethylpyrazine;5-chloro-2-(2,3-dichlorophenyl)sulfanyl-3-iodopyrazine;6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;2,3-dichlorobenzenethiol;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;hydride;3,3,3-trifluoroprop-1-ene
CID 160841753

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CCC[C@H]3NS(=O)C(C)(C)C)CC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of (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?
The InChIKey is SJRNLHIWOCPTKD-GXZQJFEMSA-N. The full InChI is InChI=1S/C25H33Cl2N3OS2.C21H25Cl2N3S/c1-17-15-18(16-28-23(17)32-20-8-5-7-19(26)22(20)27)30-13-11-25(12-14-30)10-6-9-21(25)29-33(31)24(2,3)4;1-14-12-15(26-10-8-21(9-11-26)7-3-6-18(21)24)13-25-20(14)27-17-5-2-4-16(22)19(17)23/h5,7-8,15-16,21,29H,6,9-14H2,1-4H3;2,4-5,12-13,18H,3,6-11,24H2,1H3/t21-,33?;18-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 949.02 g/mol, XLogP of 12.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160854454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).