methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate

C14H28N2O4S — CID 80710810

IUPACmethyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate
SMILESCCCN(CCC)S(=O)(=O)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C14H28N2O4S/c1-4-10-15(11-5-2)21(18,19)16(12-14(17)20-3)13-8-6-7-9-13/h13H,4-12H2,1-3H3
InChIKeyPERNKNWOMOPQMZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.77
Rot. Bonds9

About methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate

methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate (PubChem CID 80710810) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate
PubChem CID80710810
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Namemethyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate
SMILESCCCN(CCC)S(=O)(=O)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C14H28N2O4S/c1-4-10-15(11-5-2)21(18,19)16(12-14(17)20-3)13-8-6-7-9-13/h13H,4-12H2,1-3H3
InChIKeyPERNKNWOMOPQMZ-UHFFFAOYSA-N
XLogP1.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate (CID 80710810) is methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate is CCCN(CCC)S(=O)(=O)N(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate?
The InChIKey is PERNKNWOMOPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-10-15(11-5-2)21(18,19)16(12-14(17)20-3)13-8-6-7-9-13/h13H,4-12H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate?
methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate has a molecular weight of 320.46 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate is sourced from PubChem (CID 80710810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).