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

C28H43N3O5S — CID 130202913

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H43N3O5S/c1-29(2)28(23-7-4-3-5-8-23)13-11-25(12-14-28)21-30(24(32)31(25)22-27(34)9-6-10-27)18-15-26(33)16-19-37(35,36)20-17-26/h3-5,7-8,33-34H,6,9-22H2,1-2H3
InChIKeyLNOGPNHKBNGOLN-UHFFFAOYSA-N
MW533.74 g/mol
LogP2.74
Rot. Bonds7

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202913) has the molecular formula C28H43N3O5S and a molecular weight of 533.74 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202913
Molecular FormulaC28H43N3O5S
Molecular Weight533.74 g/mol
Exact Mass533.29
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H43N3O5S/c1-29(2)28(23-7-4-3-5-8-23)13-11-25(12-14-28)21-30(24(32)31(25)22-27(34)9-6-10-27)18-15-26(33)16-19-37(35,36)20-17-26/h3-5,7-8,33-34H,6,9-22H2,1-2H3
InChIKeyLNOGPNHKBNGOLN-UHFFFAOYSA-N
XLogP2.74
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.74
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-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
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_1174
CID 130200609
US10807989, Example SC_1308
CID 130200622
US10807989, Example SC_1136
CID 130200699
US10807989, Example SC_1355
CID 130200710
US10793528, Example SC_5079
CID 130200726

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202913) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is LNOGPNHKBNGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O5S/c1-29(2)28(23-7-4-3-5-8-23)13-11-25(12-14-28)21-30(24(32)31(25)22-27(34)9-6-10-27)18-15-26(33)16-19-37(35,36)20-17-26/h3-5,7-8,33-34H,6,9-22H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 533.74 g/mol, XLogP of 2.74, 7 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-[2-(4-hydroxy-1,1-dioxothian-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).