8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C24H31N3O2S — CID 26024140

IUPAC8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(CN(CCc2ccccc2)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1
InChIInChI=1S/C24H31N3O2S/c1-18-10-13-24(14-11-18)22(28)27(23(29)25-24)17-26(16-21-9-8-19(2)30-21)15-12-20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,25,29)
InChIKeyYJERZRZOUYOBAY-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.56
Rot. Bonds7

About 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 26024140) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID26024140
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(CN(CCc2ccccc2)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1
InChIInChI=1S/C24H31N3O2S/c1-18-10-13-24(14-11-18)22(28)27(23(29)25-24)17-26(16-21-9-8-19(2)30-21)15-12-20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,25,29)
InChIKeyYJERZRZOUYOBAY-UHFFFAOYSA-N
XLogP4.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 26024140) is 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(CN(CCc2ccccc2)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1.
What is the InChIKey of 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YJERZRZOUYOBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-18-10-13-24(14-11-18)22(28)27(23(29)25-24)17-26(16-21-9-8-19(2)30-21)15-12-20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,25,29).
What are the key properties of 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 425.60 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26024140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).