methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate

C12H20O4S — CID 117037537

IUPACmethyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)C2CCCCC2)CCC1
InChIInChI=1S/C12H20O4S/c1-16-11(13)12(8-5-9-12)17(14,15)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeyGUPVPMOVJVXDMW-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.83
Rot. Bonds3

About methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate

methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate (PubChem CID 117037537) has the molecular formula C12H20O4S and a molecular weight of 260.35 g/mol. Its IUPAC name is methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate
PubChem CID117037537
Molecular FormulaC12H20O4S
Molecular Weight260.35 g/mol
Exact Mass260.11
IUPAC Namemethyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)C2CCCCC2)CCC1
InChIInChI=1S/C12H20O4S/c1-16-11(13)12(8-5-9-12)17(14,15)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeyGUPVPMOVJVXDMW-UHFFFAOYSA-N
XLogP1.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-cyclohexylsulfonylcyclobutane-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

methyl 3-cyclohexylsulfonyloxetane-3-carboxylate
CID 117037599
1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide
CID 89286143
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
(1-cyclohexylsulfonylcyclohexyl)carbamic acid
CID 157352651
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641
methyl 3-cyclohexyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 88822916
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
methyl 4-(cyclohexanecarbonyl)bicyclo[2.2.2]octane-1-carboxylate
CID 134962529
methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
(1-cyclohexylsulfonylcyclopropyl)methanol
CID 117037467
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
CID 14976116

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate?
The IUPAC name of methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate (CID 117037537) is methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate is COC(=O)C1(S(=O)(=O)C2CCCCC2)CCC1.
What is the InChIKey of methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate?
The InChIKey is GUPVPMOVJVXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4S/c1-16-11(13)12(8-5-9-12)17(14,15)10-6-3-2-4-7-10/h10H,2-9H2,1H3.
What are the key properties of methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate?
methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate has a molecular weight of 260.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate is sourced from PubChem (CID 117037537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).