8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C16H22N2O5S2 — CID 91920553

IUPAC8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1C(=O)CS(=O)C12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C16H22N2O5S2/c1-23-12-11-18-15(19)13-24(20)16(18)7-9-17(10-8-16)25(21,22)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyFCJJHZYAYAYWGX-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.40
Rot. Bonds5

About 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91920553) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91920553
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1C(=O)CS(=O)C12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C16H22N2O5S2/c1-23-12-11-18-15(19)13-24(20)16(18)7-9-17(10-8-16)25(21,22)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyFCJJHZYAYAYWGX-UHFFFAOYSA-N
XLogP0.40
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one 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 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91920553) is 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is COCCN1C(=O)CS(=O)C12CCN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FCJJHZYAYAYWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-23-12-11-18-15(19)13-24(20)16(18)7-9-17(10-8-16)25(21,22)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 386.50 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91920553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).