methyl 3-methylsulfinyloxycyclobutane-1-carboxylate

C7H12O4S — CID 138709978

IUPACmethyl 3-methylsulfinyloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(OS(C)=O)C1
InChIInChI=1S/C7H12O4S/c1-10-7(8)5-3-6(4-5)11-12(2)9/h5-6H,3-4H2,1-2H3
InChIKeyKKXAIDXTJVNVQM-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.25
Rot. Bonds3

About methyl 3-methylsulfinyloxycyclobutane-1-carboxylate

methyl 3-methylsulfinyloxycyclobutane-1-carboxylate (PubChem CID 138709978) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is methyl 3-methylsulfinyloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylsulfinyloxycyclobutane-1-carboxylate
PubChem CID138709978
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Namemethyl 3-methylsulfinyloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(OS(C)=O)C1
InChIInChI=1S/C7H12O4S/c1-10-7(8)5-3-6(4-5)11-12(2)9/h5-6H,3-4H2,1-2H3
InChIKeyKKXAIDXTJVNVQM-UHFFFAOYSA-N
XLogP0.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-methylsulfinyloxycyclobutane-1-carboxylate 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

dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
CID 146340071
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
methyl 3-(dimethylamino)cyclobutane-1-carboxylate
CID 90410277
methyl 5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 105441123
trans-methyl (3R,4R)-3,4-di(propan-2-yl)cyclopentane-1-carboxylate
CID 59408300
methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate
CID 130678698
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylsulfinyloxycyclobutane-1-carboxylate?
The IUPAC name of methyl 3-methylsulfinyloxycyclobutane-1-carboxylate (CID 138709978) is methyl 3-methylsulfinyloxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-methylsulfinyloxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-methylsulfinyloxycyclobutane-1-carboxylate is COC(=O)C1CC(OS(C)=O)C1.
What is the InChIKey of methyl 3-methylsulfinyloxycyclobutane-1-carboxylate?
The InChIKey is KKXAIDXTJVNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-10-7(8)5-3-6(4-5)11-12(2)9/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-methylsulfinyloxycyclobutane-1-carboxylate?
methyl 3-methylsulfinyloxycyclobutane-1-carboxylate has a molecular weight of 192.24 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylsulfinyloxycyclobutane-1-carboxylate is sourced from PubChem (CID 138709978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).