8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C27H41N3O5S — CID 130202881

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H41N3O5S/c1-28(2)27(22-7-4-3-5-8-22)13-11-24(12-14-27)19-29(20-26(33)15-17-36(34,35)18-16-26)23(31)30(24)21-25(32)9-6-10-25/h3-5,7-8,32-33H,6,9-21H2,1-2H3
InChIKeyKVPUDSWARNXTPX-UHFFFAOYSA-N
MW519.71 g/mol
LogP2.35
Rot. Bonds6

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202881) has the molecular formula C27H41N3O5S and a molecular weight of 519.71 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202881
Molecular FormulaC27H41N3O5S
Molecular Weight519.71 g/mol
Exact Mass519.28
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H41N3O5S/c1-28(2)27(22-7-4-3-5-8-22)13-11-24(12-14-27)19-29(20-26(33)15-17-36(34,35)18-16-26)23(31)30(24)21-25(32)9-6-10-25/h3-5,7-8,32-33H,6,9-21H2,1-2H3
InChIKeyKVPUDSWARNXTPX-UHFFFAOYSA-N
XLogP2.35
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.71
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10793556, Example SC_4096
CID 130202980
US10807989, Example SC_1351
CID 130200493
CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,1-dioxo-[1,4]thiazinan-4-yl)-2-oxo-ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200519
US10807989, Example SC_1366
CID 130200623
US10793556, Example SC_4089
CID 130202939
US10793556, Example SC_4072
CID 130210895
US10807989, Example SC_1368
CID 130200485
US10807989, Example SC_1215
CID 130200504
US10807989, Example SC_1365
CID 130200547
US10807989, Example SC_1174
CID 130200609
US10807989, Example SC_1308
CID 130200622
US10807989, Example SC_1136
CID 130200699

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202881) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KVPUDSWARNXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O5S/c1-28(2)27(22-7-4-3-5-8-22)13-11-24(12-14-27)19-29(20-26(33)15-17-36(34,35)18-16-26)23(31)30(24)21-25(32)9-6-10-25/h3-5,7-8,32-33H,6,9-21H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 519.71 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).