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

C22H32N4O4S — CID 130200506

IUPAC3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2
InChIInChI=1S/C22H32N4O4S/c1-2-23-22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)24-21)16-19(27)25-12-14-31(29,30)15-13-25/h3-7,23H,2,8-17H2,1H3,(H,24,28)
InChIKeyOHRXCLZQCMGHJY-UHFFFAOYSA-N
MW448.59 g/mol
LogP1.09
Rot. Bonds5

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

3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200506) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200506
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC Name3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2
InChIInChI=1S/C22H32N4O4S/c1-2-23-22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)24-21)16-19(27)25-12-14-31(29,30)15-13-25/h3-7,23H,2,8-17H2,1H3,(H,24,28)
InChIKeyOHRXCLZQCMGHJY-UHFFFAOYSA-N
XLogP1.09
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonyl-ethyl)-acetamide
CID 130200468
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
US10738015, Example SC-6
CID 137407663
2-[[(3S)-1-benzylsulfonylpyrrolidin-3-yl]amino]-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916531
2-[[(3S)-1-benzylsulfonylpyrrolidin-3-yl]amino]-1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916643
US10807989, Example SC_1223
CID 130200458
US10807989, Example SC_1370
CID 130200470
US10807989, Example SC_1368
CID 130200485
US10807989, Example SC_1158
CID 130200486
US10807989, Example SC_1215
CID 130200504

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200506) is 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.
What is the InChIKey of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is OHRXCLZQCMGHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-2-23-22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)24-21)16-19(27)25-12-14-31(29,30)15-13-25/h3-7,23H,2,8-17H2,1H3,(H,24,28).
What are the key properties of 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 448.59 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).