methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate

C13H23NO4S — CID 58947961

IUPACmethyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)N(C)C2CC2)CCCCC1
InChIInChI=1S/C13H23NO4S/c1-14(11-6-7-11)19(16,17)10-13(12(15)18-2)8-4-3-5-9-13/h11H,3-10H2,1-2H3
InChIKeySOLDAYSCDPHZND-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.53
Rot. Bonds5

About methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate

methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate (PubChem CID 58947961) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate
PubChem CID58947961
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Namemethyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)N(C)C2CC2)CCCCC1
InChIInChI=1S/C13H23NO4S/c1-14(11-6-7-11)19(16,17)10-13(12(15)18-2)8-4-3-5-9-13/h11H,3-10H2,1-2H3
InChIKeySOLDAYSCDPHZND-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate (CID 58947961) is methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate is COC(=O)C1(CS(=O)(=O)N(C)C2CC2)CCCCC1.
What is the InChIKey of methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate?
The InChIKey is SOLDAYSCDPHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-14(11-6-7-11)19(16,17)10-13(12(15)18-2)8-4-3-5-9-13/h11H,3-10H2,1-2H3.
What are the key properties of methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate?
methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 58947961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).