methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate

C12H24N2O4S — CID 80708205

IUPACmethyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)13(3)19(16,17)14(9-12(15)18-4)11-7-5-6-8-11/h10-11H,5-9H2,1-4H3
InChIKeyXIBSIBLSBWLHKD-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.99
Rot. Bonds6

About methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate

methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate (PubChem CID 80708205) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
PubChem CID80708205
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)13(3)19(16,17)14(9-12(15)18-4)11-7-5-6-8-11/h10-11H,5-9H2,1-4H3
InChIKeyXIBSIBLSBWLHKD-UHFFFAOYSA-N
XLogP0.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate (CID 80708205) is methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate is COC(=O)CN(C1CCCC1)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
The InChIKey is XIBSIBLSBWLHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)13(3)19(16,17)14(9-12(15)18-4)11-7-5-6-8-11/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate has a molecular weight of 292.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate is sourced from PubChem (CID 80708205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).