methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate

C18H24FNO5S — CID 90620382

IUPACmethyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H24FNO5S/c1-24-18(21)16-11-13(25-17-10-6-5-9-15(17)19)12-20(16)26(22,23)14-7-3-2-4-8-14/h5-6,9-10,13-14,16H,2-4,7-8,11-12H2,1H3
InChIKeyYUGLUBZEIIWCPN-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.48
Rot. Bonds5

About methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate

methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate (PubChem CID 90620382) has the molecular formula C18H24FNO5S and a molecular weight of 385.46 g/mol. Its IUPAC name is methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
PubChem CID90620382
Molecular FormulaC18H24FNO5S
Molecular Weight385.46 g/mol
Exact Mass385.14
IUPAC Namemethyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H24FNO5S/c1-24-18(21)16-11-13(25-17-10-6-5-9-15(17)19)12-20(16)26(22,23)14-7-3-2-4-8-14/h5-6,9-10,13-14,16H,2-4,7-8,11-12H2,1H3
InChIKeyYUGLUBZEIIWCPN-UHFFFAOYSA-N
XLogP2.48
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate (CID 90620382) is methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The InChIKey is YUGLUBZEIIWCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO5S/c1-24-18(21)16-11-13(25-17-10-6-5-9-15(17)19)12-20(16)26(22,23)14-7-3-2-4-8-14/h5-6,9-10,13-14,16H,2-4,7-8,11-12H2,1H3.
What are the key properties of methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).