methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate

C10H17F3N2O4S — CID 114811608

IUPACmethyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c1-19-9(16)6-15(8-4-2-3-5-8)20(17,18)14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyDYDZCPBXOKJSMR-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.80
Rot. Bonds6

About methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate

methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate (PubChem CID 114811608) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
PubChem CID114811608
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Namemethyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c1-19-9(16)6-15(8-4-2-3-5-8)20(17,18)14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyDYDZCPBXOKJSMR-UHFFFAOYSA-N
XLogP0.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetate
CID 80707883
Methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
2-[Cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
CID 113636693
Methyl 2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
CID 113637496
Ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
CID 114811500
Methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
CID 114811552
Methyl 2-[cyclopentyl(dimethylsulfamoyl)amino]acetate
CID 80707806
Methyl 2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
CID 80708205
Methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate
CID 80708283
Methyl 2-[[butyl(methyl)sulfamoyl]-cyclopentylamino]acetate
CID 80708755
Methyl 2-[cyclopentyl(dipropylsulfamoyl)amino]acetate
CID 80710810
Methyl 2-[cyclopentyl(propylsulfamoyl)amino]acetate
CID 113637508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate (CID 114811608) is methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate is COC(=O)CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The InChIKey is DYDZCPBXOKJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c1-19-9(16)6-15(8-4-2-3-5-8)20(17,18)14-7-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate has a molecular weight of 318.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetate is sourced from PubChem (CID 114811608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).