2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone

C10H16O3S — CID 115336272

IUPAC2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
SMILESO=C(CC1CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H16O3S/c11-10(6-8-2-1-3-8)9-4-5-14(12,13)7-9/h8-9H,1-7H2
InChIKeyPKUBSDCJTOECEP-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.18
Rot. Bonds3

About 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone

2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone (PubChem CID 115336272) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
PubChem CID115336272
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
SMILESO=C(CC1CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H16O3S/c11-10(6-8-2-1-3-8)9-4-5-14(12,13)7-9/h8-9H,1-7H2
InChIKeyPKUBSDCJTOECEP-UHFFFAOYSA-N
XLogP1.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-(3-methylcyclohexyl)ethanone
CID 105106449
1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
CID 114973977
N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
CID 64906251
2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone
CID 114969368
1-(1,1-dioxothiolan-3-yl)-2-(4-iodophenyl)ethanone
CID 115336298
N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 54942759
1-(1,1-dioxothiolan-3-yl)-4-methoxy-4-methylpentan-1-one
CID 103024539
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 64904345
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 115668925
N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
CID 83201861
2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone (CID 115336272) is 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone is O=C(CC1CCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone?
The InChIKey is PKUBSDCJTOECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c11-10(6-8-2-1-3-8)9-4-5-14(12,13)7-9/h8-9H,1-7H2.
What are the key properties of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone?
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone has a molecular weight of 216.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone is sourced from PubChem (CID 115336272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).