methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate

C12H20F3NO4S — CID 103342622

IUPACmethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H20F3NO4S/c1-8(2)16(7-12(13,14)15)21(18,19)10-6-4-5-9(10)11(17)20-3/h8-10H,4-7H2,1-3H3
InChIKeySNKRNXZCLCMGGH-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342622) has the molecular formula C12H20F3NO4S and a molecular weight of 331.36 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342622
Molecular FormulaC12H20F3NO4S
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC Namemethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H20F3NO4S/c1-8(2)16(7-12(13,14)15)21(18,19)10-6-4-5-9(10)11(17)20-3/h8-10H,4-7H2,1-3H3
InChIKeySNKRNXZCLCMGGH-UHFFFAOYSA-N
XLogP1.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342622) is methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is SNKRNXZCLCMGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO4S/c1-8(2)16(7-12(13,14)15)21(18,19)10-6-4-5-9(10)11(17)20-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 331.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).