methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate

C13H26N2O4S — CID 60539567

IUPACmethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H26N2O4S/c1-4-10-15(11-13(16)19-3)20(17,18)14(2)12-8-6-5-7-9-12/h12H,4-11H2,1-3H3
InChIKeyVZIXQRWOGNHFIM-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.38
Rot. Bonds7

About methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate

methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate (PubChem CID 60539567) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate
PubChem CID60539567
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H26N2O4S/c1-4-10-15(11-13(16)19-3)20(17,18)14(2)12-8-6-5-7-9-12/h12H,4-11H2,1-3H3
InChIKeyVZIXQRWOGNHFIM-UHFFFAOYSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate (CID 60539567) is methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate?
The InChIKey is VZIXQRWOGNHFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-10-15(11-13(16)19-3)20(17,18)14(2)12-8-6-5-7-9-12/h12H,4-11H2,1-3H3.
What are the key properties of methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate?
methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate has a molecular weight of 306.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate is sourced from PubChem (CID 60539567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).