8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one

C25H38N4O4S — CID 130200622

IUPAC8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C25H38N4O4S/c1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21/h5-9H,4,10-20H2,1-3H3
InChIKeyXJXIYUDRGQMTOM-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.16
Rot. Bonds6

About 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200622) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200622
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C25H38N4O4S/c1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21/h5-9H,4,10-20H2,1-3H3
InChIKeyXJXIYUDRGQMTOM-UHFFFAOYSA-N
XLogP2.16
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200622) is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is XJXIYUDRGQMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21/h5-9H,4,10-20H2,1-3H3.
What are the key properties of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 490.67 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).