8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C30H46N4O5S — CID 130200726

About 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200726) has the molecular formula C30H46N4O5S and a molecular weight of 574.79 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130200726
• Molecular Formula: C30H46N4O5S
• Molecular Weight: 574.79 g/mol
• Exact Mass: 574.32
• IUPAC Name: 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1
• InChI: InChI=1S/C30H46N4O5S/c1-27(2,25(35)32-17-19-40(38,39)20-18-32)21-33-22-28(34(26(33)36)23-29(37)11-8-12-29)13-15-30(16-14-28,31(3)4)24-9-6-5-7-10-24/h5-7,9-10,37H,8,11-23H2,1-4H3
• InChIKey: OTWMEMVARBDDOS-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 101.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.79
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200726) is 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1.

What is the InChIKey of 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is OTWMEMVARBDDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O5S/c1-27(2,25(35)32-17-19-40(38,39)20-18-32)21-33-22-28(34(26(33)36)23-29(37)11-8-12-29)13-15-30(16-14-28,31(3)4)24-9-6-5-7-10-24/h5-7,9-10,37H,8,11-23H2,1-4H3.

What are the key properties of 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 574.79 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).