methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate

C12H21NO4S — CID 103343467

IUPACmethyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)C1CCC1
InChIInChI=1S/C12H21NO4S/c1-13(9-5-3-6-9)18(15,16)11-8-4-7-10(11)12(14)17-2/h9-11H,3-8H2,1-2H3
InChIKeyDSCGCOVUMCLNQS-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343467) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343467
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)C1CCC1
InChIInChI=1S/C12H21NO4S/c1-13(9-5-3-6-9)18(15,16)11-8-4-7-10(11)12(14)17-2/h9-11H,3-8H2,1-2H3
InChIKeyDSCGCOVUMCLNQS-UHFFFAOYSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343312
methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342276
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343467) is methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(C)C1CCC1.
What is the InChIKey of methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is DSCGCOVUMCLNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-13(9-5-3-6-9)18(15,16)11-8-4-7-10(11)12(14)17-2/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).