methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate

C13H21NO4S — CID 103343312

IUPACmethyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESC=CCN(C1CC1)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H21NO4S/c1-3-9-14(10-7-8-10)19(16,17)12-6-4-5-11(12)13(15)18-2/h3,10-12H,1,4-9H2,2H3
InChIKeyAUOBOTYUOITTEM-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.31
Rot. Bonds6

About methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343312) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343312
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESC=CCN(C1CC1)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H21NO4S/c1-3-9-14(10-7-8-10)19(16,17)12-6-4-5-11(12)13(15)18-2/h3,10-12H,1,4-9H2,2H3
InChIKeyAUOBOTYUOITTEM-UHFFFAOYSA-N
XLogP1.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343312) is methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate is C=CCN(C1CC1)S(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is AUOBOTYUOITTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-9-14(10-7-8-10)19(16,17)12-6-4-5-11(12)13(15)18-2/h3,10-12H,1,4-9H2,2H3.
What are the key properties of methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).