1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone

C19H28N2O4S — CID 91910476

IUPAC1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone
SMILESCOCC1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC12CCNCC2
InChIInChI=1S/C19H28N2O4S/c1-25-13-16-12-21(14-19(16)7-9-20-10-8-19)18(22)11-15-3-5-17(6-4-15)26(2,23)24/h3-6,16,20H,7-14H2,1-2H3
InChIKeyVEHHAQFKHMLWMD-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.11
Rot. Bonds5

About 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone

1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone (PubChem CID 91910476) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone
PubChem CID91910476
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone
SMILESCOCC1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC12CCNCC2
InChIInChI=1S/C19H28N2O4S/c1-25-13-16-12-21(14-19(16)7-9-20-10-8-19)18(22)11-15-3-5-17(6-4-15)26(2,23)24/h3-6,16,20H,7-14H2,1-2H3
InChIKeyVEHHAQFKHMLWMD-UHFFFAOYSA-N
XLogP1.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone (CID 91910476) is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone is COCC1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC12CCNCC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone?
The InChIKey is VEHHAQFKHMLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-25-13-16-12-21(14-19(16)7-9-20-10-8-19)18(22)11-15-3-5-17(6-4-15)26(2,23)24/h3-6,16,20H,7-14H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone?
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone has a molecular weight of 380.51 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 91910476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).