5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C25H36N4O3S — CID 142514943

IUPAC5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2ccccc2)CC2(CN(CC(=O)N3CCS(=O)CC3)C(=O)N2CC2CCC2)C1
InChIInChI=1S/C25H36N4O3S/c1-26(2)25(21-9-4-3-5-10-21)17-24(18-25)19-28(23(31)29(24)15-20-7-6-8-20)16-22(30)27-11-13-33(32)14-12-27/h3-5,9-10,20H,6-8,11-19H2,1-2H3
InChIKeyFUEVZQRKSXIXCG-UHFFFAOYSA-N
MW472.66 g/mol
LogP2.10
Rot. Bonds6

About 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 142514943) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID142514943
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC Name5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2ccccc2)CC2(CN(CC(=O)N3CCS(=O)CC3)C(=O)N2CC2CCC2)C1
InChIInChI=1S/C25H36N4O3S/c1-26(2)25(21-9-4-3-5-10-21)17-24(18-25)19-28(23(31)29(24)15-20-7-6-8-20)16-22(30)27-11-13-33(32)14-12-27/h3-5,9-10,20H,6-8,11-19H2,1-2H3
InChIKeyFUEVZQRKSXIXCG-UHFFFAOYSA-N
XLogP2.10
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 142514943) is 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2ccccc2)CC2(CN(CC(=O)N3CCS(=O)CC3)C(=O)N2CC2CCC2)C1.
What is the InChIKey of 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is FUEVZQRKSXIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-26(2)25(21-9-4-3-5-10-21)17-24(18-25)19-28(23(31)29(24)15-20-7-6-8-20)16-22(30)27-11-13-33(32)14-12-27/h3-5,9-10,20H,6-8,11-19H2,1-2H3.
What are the key properties of 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 472.66 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-2-(dimethylamino)-7-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 142514943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).